property_id string | property_hash string | last_modified timestamp[us] | dataset_id string | multiplicity int32 | software string | method string | energy float64 | atomic_forces list | cauchy_stress list | cauchy_stress_volume_normalized bool | electronic_band_gap float64 | electronic_band_gap_type string | formation_energy float64 | adsorption_energy float64 | atomization_energy float64 | max_force_norm float64 | mean_force_norm float64 | energy_above_hull float64 | configuration_id string | configuration_hash string | structure_hash string | cell list | positions list | pbc list | chemical_formula_hill string | chemical_formula_reduced string | chemical_formula_anonymous string | elements list | elements_ratios list | atomic_numbers list | nsites int32 | nelements int32 | nperiodic_dimensions int32 | dimension_types list | names list | labels list | property_metadata_path string | configuration_metadata_path string | hash string | configuration_metadata string | property_metadata string |
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true,
true,
true
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"Li",
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"Pd",
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0.3333333333333333,
0.5,
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8,
8,
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8,
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46,
40
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0,
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0
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PO_1001285045102503423241087 | 10012850451025034232410877608667345886904049158163445103469439669822624522432130585650003707722816544944611205240566441899356226721193004269933770182282314 | 2025-04-16T17:11:15 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.063393 | null | null | null | null | null | CO_8441919226449544183787284 | 8441919226449544183787284361989115622596499973789343758886187561306543458928952478223331600837815909206932948480830552134277398767081691689983611569466681 | 7923817838960905496229387314574938131736155633171934147834619320328442780856473798067527793037252730529260667165991609857563312911809795952592338062102534 | [
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[
5.369892,
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]
] | [
true,
true,
true
] | AgNdSn | AgNdSn | ABC | [
"Ag",
"Nd",
"Sn"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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47,
60,
50
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0,
0,
0
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9922/MD_1339835754291631745839922.json | null | {"_oqmd_entry_id": 967821, "_oqmd_stability": 0.5952805699999996, "hash": "13398357542916317458399229415378089833523235392930616159824785291396177673439657729926056547622872935149832843609399146382006958342419408198040230787139625", "id": "MD_1339835754291631745839922"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001209676437472622870375 | 10012096764374726228703754026745561862216987617527734696543201613321054825016738569319095522655114819915600577960604335433816947913763301602691997961925647 | 2025-04-16T21:13:01 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.951765 | null | null | null | null | null | CO_6694188093931769601506827 | 6694188093931769601506827399501153124592882117842232945718879978077187177108206252200875712516643949553958827313207704179105540309154733896021362108719767 | 8767427467946020400861897313966881891563630298639552022544680800782627412884750534140068583868834536875985781312090441735691513231843281001866563138543641 | [
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[
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[
0,
0,
0
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] | [
true,
true,
true
] | BaIrTa | BaIrTa | ABC | [
"Ba",
"Ir",
"Ta"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
56,
77,
73
] | 3 | 3 | 0 | [
0,
0,
0
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"all_oqmd_694967"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6822/MD_3364783063008915579376822.json | null | {"_oqmd_entry_id": 963027, "_oqmd_stability": 1.35760104383921, "hash": "336478306300891557937682205907467627710190517880189973610440216032881477724247156614300657348390160949757631129158291317367948439155037962222763037427059", "id": "MD_3364783063008915579376822"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001210578656258082250664 | 10012105786562580822506642656020190930827792371268325118707764561283113165350189833803663918486540756289642611415295854577506762509762269492002688700594281 | 2025-04-16T19:49:43 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.771233 | null | null | null | null | null | CO_1093477838513814174925884 | 10934778385138141749258840467220118150770729442948010422909141375164396529546213686275850848440467048966358268604844463372968902072852540361103032791709450 | 3990381970577257933332607732974201992487806809856840817433491948262457991996515431367251751003406080752032333536449343108146923841774732879655001086560330 | [
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[
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] | [
true,
true,
true
] | BiFeHgTa | BiFeHgTa | ABCD | [
"Bi",
"Fe",
"Hg",
"Ta"
] | [
0.25,
0.25,
0.25,
0.25
] | [
83,
26,
80,
73
] | 4 | 4 | 0 | [
0,
0,
0
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6395/MD_7623539982267104255436395.json | null | {"_oqmd_entry_id": 801118, "_oqmd_stability": 0.854114867508434, "hash": "7623539982267104255436395368355809069187293584984922995636856732856198873851500590959863754661742654658550856741528860671016278011972549963722542321412884", "id": "MD_7623539982267104255436395"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001271805958563587652435 | 10012718059585635876524358532899484120327610045339835650898930264496970932001644790794600136964582817033173182274794031703590381915062362453686812386880669 | 2025-04-16T17:11:10 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.248284 | null | null | null | null | null | CO_1051836853259864522678059 | 10518368532598645226780596321413667122347658196545182197653774101226944716998600602981781191212198314267035701968067076866560463603178595385983796284712811 | 4793116451556884385147134794927327573776108673721027601938964251353998983876039403932836443208070454291058405447590616084347602867149419079383533850637365 | [
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[
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[
3.056648,
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3.056648
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] | [
true,
true,
true
] | AsCrCuMg | AsCrCuMg | ABCD | [
"As",
"Cr",
"Cu",
"Mg"
] | [
0.25,
0.25,
0.25,
0.25
] | [
33,
24,
29,
12
] | 4 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_288543"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4202/MD_5369661818123842940754202.json | null | {"_oqmd_entry_id": 699915, "_oqmd_stability": 0.546266262780895, "hash": "5369661818123842940754202700973611824023676323693225691938555510914432828121484774071258453107405690492063905283090555109032237745315954526566357642635217", "id": "MD_5369661818123842940754202"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001289084887083004727228 | 10012890848870830047272288407827666805383087184826506710869369791774975285801788014780434322090039309503776779920894396982177110033375263043996407446801741 | 2025-04-16T18:28:24 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.720632 | null | null | null | null | null | CO_1269209366512071270691602 | 1269209366512071270691602612589348643632144898447390072745079883387122529408560399408346263148601171788031175018213521278206801092655969572118438691507169 | 10220314933743253854325522896575526272102822766799091767454632801497318967031092386549729144252936556226746754277146982274605871184897770685344769893729177 | [
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[
0,
0,
0
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[
3.610242,
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3.610242
]
] | [
true,
true,
true
] | BiKMn2 | BiKMn2 | A2BC | [
"Bi",
"K",
"Mn"
] | [
0.25,
0.25,
0.5
] | [
83,
19,
25,
25
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_63923"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7196/MD_1151258721094207410967196.json | null | {"_oqmd_entry_id": 472118, "_oqmd_stability": 0.90585460904095, "hash": "11512587210942074109671966085740437697765971882622883644796799555552727291212994837595040698220238306206973970210293047148827658753087211329202276190190042", "id": "MD_1151258721094207410967196"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001206163434114885990720 | 10012061634341148859907203772905901346203148856187003657377658752624788005865571408375039406581288674157733553618871181349463171836621236958123483109776082 | 2025-04-16T20:37:32 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.963 | unknown | -1.797302 | null | null | null | null | null | CO_5989098513838722695621258 | 5989098513838722695621258971646436999973715349301894324745829219382613234894467458848763006955188390923190997959994783799112853766234898191979654220079667 | 1835202324170532296868154550942198308933020734312767223501758986440008564684830598433938513824105818799301887210779768574791678351717590536337880836391378 | [
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[
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[
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]
] | [
true,
true,
true
] | SeYb | SeYb | AB | [
"Se",
"Yb"
] | [
0.5,
0.5
] | [
34,
70
] | 2 | 2 | 0 | [
0,
0,
0
] | [
"all_oqmd_794136"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3386/MD_2147776017546145276573386.json | null | {"_oqmd_entry_id": 1224141, "_oqmd_stability": 0.30888541999999997, "hash": "2147776017546145276573386514736469157263833723935736336037541733304019762595311755577761212627119524287173182691499807306741120027302338233422841376157959", "id": "MD_2147776017546145276573386"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001251772327267244482025 | 10012517723272672444820255909473678662273343079749568743608099952313834236177500527072606621318207112382779908777268339147282559515371350517308095218333869 | 2025-04-16T16:29:45 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.574316 | null | null | null | null | null | CO_1068292631427465527617169 | 10682926314274655276171691713415513599472856618082818898694338719377498408316688645964885155784738440132122172436340235927162349331223737429017456303435045 | 588737164301372594415761394641631051929552310217247995851659736086097473358867608776953683909912471719042037524745186405601080375922430814823192282354781 | [
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[
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] | [
true,
true,
true
] | InOs2Pt | InOs2Pt | A2BC | [
"In",
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"Pt"
] | [
0.25,
0.5,
0.25
] | [
49,
76,
76,
78
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0,
0
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[
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]
] | [
true,
true,
true
] | Ho2PtW | Ho2PtW | A2BC | [
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"Pt",
"W"
] | [
0.5,
0.25,
0.25
] | [
67,
67,
78,
74
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0,
0
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PO_1001269484021200408283704 | 10012694840212004082837042572282280714992167785209354952359454780024882831167051866406535286542800226256256229411355736210865430730192746412730831943015792 | 2025-04-16T18:14:58 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.37958 | null | null | null | null | null | CO_1102695228161969733335392 | 11026952281619697333353929230600660215351715407587855486308098733307762585090927994287304581198072635384770783065278962946968883547327667313854159131079678 | 10048768179398794255809984000663613891057287296261892169010153784736755958808394285731412298271933769618041030514831912218526612116464971527723415944667613 | [
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[
0,
0,
0
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[
3.25875,
3.25875,
3.25875
]
] | [
true,
true,
true
] | CuHgInIr | CuHgInIr | ABCD | [
"Cu",
"Hg",
"In",
"Ir"
] | [
0.25,
0.25,
0.25,
0.25
] | [
29,
80,
49,
77
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0,
0,
0
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PO_1001243035451845435215319 | 10012430354518454352153192558981517134902496480571473932558512908414083396894902151663462881818808732455747147496083227213395625651471732451162101149646887 | 2025-04-16T16:33:13 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.012184 | null | null | null | null | null | CO_1086619846703281518497688 | 10866198467032815184976882739959623336242273636273941571034360514487700039853776858263221708048105147298648431857436032798916707381665212589392137483812284 | 2360183493720434446187207446935071717563304585737350164602566748617572968336212213779268414235713044329547954839842066163887886420928299331491983258955986 | [
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[
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0
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[
3.2706566649999997,
5.56541865,
0
],
[
1.635328112,
6.44591772,
2.571229... | [
true,
true,
true
] | Mg3Sc3 | MgSc | AB | [
"Mg",
"Sc"
] | [
0.5,
0.5
] | [
12,
12,
12,
21,
21,
21
] | 6 | 2 | 0 | [
0,
0,
0
] | [
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PO_1001213736750895404285715 | 10012137367508954042857151320963223957129760536859329751496067239211474504742009634710870718174077593561353102285826073710650304631795680372190501460295021 | 2025-04-16T21:43:25 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.1513 | null | null | null | null | null | CO_1164677371131586516788297 | 11646773711315865167882971974831523011846945009958130812489077627340197532537122244600263602579170636431968297774254212903389110901658656342439816508962366 | 2600296995516015533631576706085409902819035798829262529519051675626804996509261138493395966164904576251647336504967338733849168538942640444349438114036131 | [
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[
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[
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3.243886
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[
0,
0,
0
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[
1.621943,
1.621943,
1.621943
]
] | [
true,
true,
true
] | CoLuSnTc | CoLuSnTc | ABCD | [
"Co",
"Lu",
"Sn",
"Tc"
] | [
0.25,
0.25,
0.25,
0.25
] | [
27,
71,
50,
43
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0,
0,
0
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[
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[
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[... | [
true,
true,
true
] | Lu2O7Si2 | Lu2O7Si2 | A7B2C2 | [
"Lu",
"O",
"Si"
] | [
0.18181818181818182,
0.6363636363636364,
0.18181818181818182
] | [
71,
71,
8,
8,
8,
8,
8,
8,
8,
14,
14
] | 11 | 3 | 0 | [
0,
0,
0
] | [
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PO_1001265405986261058861571 | 10012654059862610588615713484141597982878771835085368252736288834091992410163075195294469021997694212359975560188173352742353326684541523843025475788098065 | 2025-04-16T20:58:52 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.832433 | null | null | null | null | null | CO_9543669746480122991825643 | 9543669746480122991825643825948168906302982284249947828350546275391483702605445821944942806150501661514646367214607543854969831744502729025123425213036974 | 6613434125740346787471047260863431184320997062616095781026103395189191452937449214743497668310125010028454741373492047626680538490552391904117750557006564 | [
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0
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[
0,
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6.11079
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] | [
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[
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4.647604375,
3.5381474099999997
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[
0.832961948,
0.4379902363... | [
true,
true,
true
] | Cu4O4S4Sn4 | CuOSSn | ABCD | [
"Cu",
"O",
"S",
"Sn"
] | [
0.25,
0.25,
0.25,
0.25
] | [
29,
29,
29,
29,
8,
8,
8,
8,
16,
16,
16,
16,
50,
50,
50,
50
] | 16 | 4 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6774/MD_3311820785091454621336774.json | null | {"_oqmd_entry_id": 1048357, "_oqmd_stability": 0.170978049414095, "hash": "3311820785091454621336774110405279749505664670978621453487311882651914981592256790381236558570479434926718630480358751979672858179933104192307435955528333", "id": "MD_3311820785091454621336774"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001240508149573132804305 | 10012405081495731328043057154937587952439338075411050954718460273295572038793778787671696561767054033033670779079855834485037366647938726159413318662416124 | 2025-04-16T20:58:52 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.684401 | null | null | null | null | null | CO_2279233891114107935103659 | 22792338911141079351036590373785703502160658248454292661971766353917592312361436846791031521927370529931666477319019312421705452263039028066612726298728 | 10501249981269898113984217843923799723396719707604760740929071453727716822441222900355803406287235088064285724993514805308896100368598616055217002034029269 | [
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[
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[
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0
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] | [
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1.61078
],
[
0,
0,
0
],
[
4.83234,
4.83234,
4.83234
]
] | [
true,
true,
true
] | PaPtSi | PaPtSi | ABC | [
"Pa",
"Pt",
"Si"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
91,
78,
14
] | 3 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/1650/MD_1207875861149006218051650.json | null | {"_oqmd_entry_id": 567532, "_oqmd_stability": 0.0816486930152481, "hash": "12078758611490062180516501213906245330967321026902573953735798139212649948104055903904661744664205963445880116841849575680898201216847373645010986871763704", "id": "MD_1207875861149006218051650"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001242021448461202897348 | 10012420214484612028973487000128674931875002431880926881560320326403307593473022323210463557533952107629391202010563753450508926212533265187907881865055025 | 2025-04-16T21:57:13 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.417057 | null | null | null | null | null | CO_1047332890083717640300446 | 10473328900837176403004463697077283932775430763918944520476640775918679399166789970018874973576189047545674331929690022524109492146568551523189561677423490 | 11152682353883011215830371312493833879684189999817535744866844636331081536889424531589844768565152261268329827252292206311072934493265765619682969433706917 | [
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[
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0
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[
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1.5985095,
1.5985095
],
[
3.197019,
3.197019,
3.197019
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] | [
true,
true,
true
] | CuGeOsSb | CuGeOsSb | ABCD | [
"Cu",
"Ge",
"Os",
"Sb"
] | [
0.25,
0.25,
0.25,
0.25
] | [
29,
32,
76,
51
] | 4 | 4 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3061/MD_1293575042904024868373061.json | null | {"_oqmd_entry_id": 1000657, "_oqmd_stability": 0.456349180091788, "hash": "12935750429040248683730615214504108551549293534494243728860515309348093508902011184735749615979518738355551075523935572559788666233394049820875678102217918", "id": "MD_1293575042904024868373061"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001230968543297664112418 | 10012309685432976641124187282118042259335260972289873415847687823734158301711038655515646124616559193374644212475838020065809878490680978103410943135792532 | 2025-04-16T16:08:27 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.458876 | null | null | null | null | null | CO_9371964742023165640209962 | 9371964742023165640209962551503697823270505665611136530740463578811294151587040125164848751247128231770316227572022543411078324384252771089408466091463222 | 2043244373501123752409215617089274836515917230380487687508038678217696831732390239939756485667652482842934773901570673650887597197718522196027961635142250 | [
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[
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[
3.042765,
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3.042765
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] | [
true,
true,
true
] | CrInLiMn | CrInLiMn | ABCD | [
"Cr",
"In",
"Li",
"Mn"
] | [
0.25,
0.25,
0.25,
0.25
] | [
24,
49,
3,
25
] | 4 | 4 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4589/MD_1623385155279347041224589.json | null | {"_oqmd_entry_id": 731350, "_oqmd_stability": 0.606702731551725, "hash": "1623385155279347041224589920641108576161010826307969329460649200804185942634932159192603801012093180450168729942646052026881921058673219574951703022323375", "id": "MD_1623385155279347041224589"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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[
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0
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[
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] | [
true,
true,
true
] | PmReZr2 | PmReZr2 | A2BC | [
"Pm",
"Re",
"Zr"
] | [
0.25,
0.25,
0.5
] | [
61,
75,
40,
40
] | 4 | 3 | 0 | [
0,
0,
0
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PO_1001363796562572693135449 | 10013637965625726931354497731434575661089493054974581577802804583560634707981808521186998895232288193632838565562587526734953354211645701816106113660257021 | 2025-04-16T21:27:46 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.126805 | null | null | null | null | null | CO_1283915935018876708123582 | 1283915935018876708123582082840529935287274768320459017725160119010195775884420086528427991485497283760443329042171073140131801073592233589442307829352462 | 2784534354091421037109023594774340147146993183599382624244179888711007584519521738431827172612139707887920505825919831049585086226602829173359110044660728 | [
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[
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true,
true
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0.25,
0.25,
0.25,
0.25
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47,
83,
29,
45
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PO_1001380624391436882260918 | 10013806243914368822609184588308094627567399653657739337814132425201361952761292688424867567227587836437687404658633914185693375303827486702523735256295523 | 2025-04-16T20:22:27 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.047115 | null | null | null | null | null | CO_6257732457007562111031919 | 625773245700756211103191988959441065646649860229466497569177037636719968086668824704611132653887884847351742592474288007029797696172722366160946894972957 | 2589060850273708107601261071249623115784686672633938814054993118163864726847294834519604893277877922715737939650060055563754748986237070537100770727233981 | [
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[
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] | [
true,
true,
true
] | GaTm2Zr | GaTm2Zr | A2BC | [
"Ga",
"Tm",
"Zr"
] | [
0.25,
0.5,
0.25
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31,
69,
69,
40
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0,
0,
0
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PO_1001327420635063495844181 | 10013274206350634958441810540117343152741342768701059039559055147228806490044066664261581176539099635871198268929541296067398252309784517463972477744131875 | 2025-04-16T21:23:51 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.171584 | null | null | null | null | null | CO_5291097701117898474435915 | 5291097701117898474435915659524890218454429176910258711704473471343543368707166350034027790620374297107457331517532095296941974580318646544123410549019559 | 6313732088051306408747138378176537827228607788344065468010914402206892039964505276673464941535149893299992777439944784204026203249222331367837458838565989 | [
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[
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[
4.7571625,
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[
0.951432... | [
true,
true,
true
] | Hf2W4 | HfW2 | A2B | [
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0.3333333333333333,
0.6666666666666666
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72,
72,
74,
74,
74,
74
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PO_1001307292889700577847722 | 10013072928897005778477223322241086746868232879685521307053505287422967751806623581809554113082900991800943536201213998729365209249231891331597060180359991 | 2025-04-16T20:16:22 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.64059 | null | null | null | null | null | CO_6411372524105094964018352 | 6411372524105094964018352813192435337254762974083049066892507218308015755978345055618652802105855230003056156277297985956749145477042448627152415616536355 | 10141098073451397292578079283894019939445176907152951864824477228010713123420032031272716597902888537412046884389860505411025782806760867158163047214980448 | [
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[
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[
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[
0,
0,
0
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] | [
true,
true,
true
] | ErInU | ErInU | ABC | [
"Er",
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"U"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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68,
49,
92
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0,
0,
0
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PO_1001372037863595106877049 | 10013720378635951068770491459930609023965317333100434436181409312499735612263430464242421140572279137163487729039211437991262849093969171827155059965670920 | 2025-04-16T17:39:39 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.098146 | null | null | null | null | null | CO_3625955681076980466541567 | 3625955681076980466541567600480702872139967750663425491820479515085565965004784395512264880439916739752572395453860413340393046107556381999931587754464980 | 12682126690945813500053156318049750833460861899559290236516538066074778503993397269864452147102117772399574093034107645280656152506873520099373324299209888 | [
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[
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[
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] | [
true,
true,
true
] | AuPt2Te | AuPt2Te | A2BC | [
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"Pt",
"Te"
] | [
0.25,
0.5,
0.25
] | [
79,
78,
78,
52
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0,
0,
0
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PO_1001378554996527380908041 | 10013785549965273809080417678400060767883145438679647813161361533577680706407238894882111980449235730307673987777260193836104929474429416371304816884595496 | 2025-04-16T21:37:17 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.072206 | null | null | null | null | null | CO_1052581846929181598205657 | 10525818469291815982056570106901029336155792556631068174168585899417861807464209510112135015037512065411716170360318787615666032695783970201929962989281053 | 9195789064748823456123231347298282566974374787613101497061827212339949836160541545431505193215130382123201933524732935268011967535224383014302605520501198 | [
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[
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[
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1.02595125
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[
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... | [
true,
true,
true
] | H2Rb6 | HRb3 | A3B | [
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0.25,
0.75
] | [
1,
1,
37,
37,
37,
37,
37,
37
] | 8 | 2 | 0 | [
0,
0,
0
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[
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[
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[
0,
0,
0
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[
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3.597597
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] | [
true,
true,
true
] | NdTbZn2 | NdTbZn2 | A2BC | [
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] | [
0.25,
0.25,
0.5
] | [
60,
65,
30,
30
] | 4 | 3 | 0 | [
0,
0,
0
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PO_1001311543925599559258759 | 10013115439255995592587590952137673190973388107695422504400525509357821313774064597013017183436731302715289707846670867900925464106595708241476377297158731 | 2025-04-16T21:12:41 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.017407 | null | null | null | null | null | CO_7719173491776650075766002 | 7719173491776650075766002779159204570567202400047624725544380011317428128521986641821603295366368700050276363806810482704916641310919574701508569018213395 | 9674306537745376693635148415777223397795304461899483994790384047880100282455793562212128241642007186076602142883214722726465557892617990234043072321038665 | [
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[
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] | [
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[
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0
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[
... | [
true,
true,
true
] | Ag2Hg2O2S2 | AgHgOS | ABCD | [
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] | [
0.25,
0.25,
0.25,
0.25
] | [
47,
47,
80,
80,
8,
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16,
16
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0,
0,
0
] | [
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PO_1001341080254311555815738 | 10013410802543115558157384902639800829500519532226618125468580294905531129112722568416576242709171473763324963396947723154669207480479355552030746707377813 | 2025-04-16T21:17:22 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.177708 | null | null | null | null | null | CO_5148189020214705593983049 | 514818902021470559398304947479395204209302963170929618087056255355065682864785225356348233261523682726944583367610468765709169060428273104873271937020496 | 11071106369936204852126372914223729109759914937900317706623920312235686328740220663410641468389290388278859138170234770725065092282666774248157576115010885 | [
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[
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... | [
true,
true,
true
] | B16Mg4Ta4 | B4MgTa | A4BC | [
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0.6666666666666666,
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5,
5,
5,
5,
12,
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73,
73,
73,
73
] | 24 | 3 | 0 | [
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0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7734/MD_5607176222909120549507734.json | null | {"_oqmd_entry_id": 1449476, "_oqmd_stability": 0.2898955345833336, "hash": "5607176222909120549507734754421127978506790360548348517154304339838131475243744790781081737225549894303059446747947767311231118838296568286060871718761677", "id": "MD_5607176222909120549507734"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001309453941730777472388 | 1001309453941730777472388484871434920055295992718891393817710358216968843889567537512681488363724039458565360016932560023047006716251183976391525001174987 | 2025-04-17T17:56:16 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.78238 | null | null | null | null | null | CO_6396661258928535255522814 | 6396661258928535255522814813663352614121796141366892670665918043457208058190394561165866461699211415417819088397005884998360509324163057138752369912282274 | 9231218766508560692369382776559757286814951433519864514077759362927174054261531879984937985313040412908491835905912952902765518332971684501303482403701833 | [
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[
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[
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[
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[
0,
0,
0
],
[
5.2531491525,
5.2531491525,
5.2531491525
]
] | [
true,
true,
true
] | AuMoTe2 | AuMoTe2 | A2BC | [
"Au",
"Mo",
"Te"
] | [
0.25,
0.25,
0.5
] | [
79,
42,
52,
52
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4692/MD_1149967760952645128294692.json | null | {"_oqmd_entry_id": 1141540, "_oqmd_stability": 0.9855984975, "hash": "11499677609526451282946928285064396222928015405217739237727862815706663812419785383133301843523652833207303007930131831580210489887746902362094659353572480", "id": "MD_1149967760952645128294692"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001305550531930418355203 | 1001305550531930418355203363836031585759780559153377080301985988782728233510600353073445818324768868461096519757192762980668456815289721400339709558934734 | 2025-04-16T21:37:22 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.141433 | null | null | null | null | null | CO_1129484468503561462102716 | 1129484468503561462102716772498726367368592124543507162965086036951212701659793532212517311552380406884200521888247872119540841597257892243889901824797086 | 4672478644668252324010457882959025654632821636087467695673519116427626436380870779435220737247799296306242370464861588490635350379574308623658698237661684 | [
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[
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4.888453
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[
2.039129,
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] | [
[
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3.71522428
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[
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6.06168172
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[
0,
2.039129,
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],
[
2.039129,
0,
2.4442265
],
[
0,
0,
0
]
] | [
true,
true,
true
] | As2Ru2Ta | As2Ru2Ta | A2B2C | [
"As",
"Ru",
"Ta"
] | [
0.4,
0.4,
0.2
] | [
33,
33,
44,
44,
73
] | 5 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_790736"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7337/MD_1043982930445538102167337.json | null | {"_oqmd_entry_id": 1213405, "_oqmd_stability": 0.521992148400001, "hash": "10439829304455381021673373407908245342376076128960931018678275191510868686123782030631739823763630763406826704343567605837400768306608433561617230476025768", "id": "MD_1043982930445538102167337"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001377001609948770896936 | 1001377001609948770896936239408480991452469105673996956219497876188456418658192295011908488100353289134962783352801418093929098380619010248487954134626920 | 2025-04-16T21:43:16 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.007273 | null | null | null | null | null | CO_9767020118163877015363121 | 9767020118163877015363121677434595960540127006222007826109187488383204568238154694620366163018627871229194628687265156600033909406820078115731269749533999 | 4719361186059039512187487162252748174001948628509145537154279954730464765470316885504175534039985483548877084263308459734995218050468053148868078835587221 | [
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[
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3.243151
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[
3.243151,
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0
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] | [
[
3.243151,
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[
1.6215755,
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1.6215755
],
[
0,
0,
0
],
[
4.8647265,
4.8647265,
4.8647265
]
] | [
true,
true,
true
] | LiRuSc2 | LiRuSc2 | A2BC | [
"Li",
"Ru",
"Sc"
] | [
0.25,
0.25,
0.5
] | [
3,
44,
21,
21
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_324768"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6367/MD_3700387006317139467566367.json | null | {"_oqmd_entry_id": 736326, "_oqmd_stability": 0.37153826, "hash": "3700387006317139467566367712504252934081052046885096498103663917941366949334831661756082845973368077972401215528912763698451048439108352332292396439443192", "id": "MD_3700387006317139467566367"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001372540320612577854922 | 10013725403206125778549225965487547932124040075266544030853581862835406341236817565405784382543512408419271651757125671049696098831001527049293460491071463 | 2025-04-16T17:09:42 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -1.14273 | null | null | null | null | null | CO_8394273843241730832351031 | 8394273843241730832351031935413761056539413815525034386588568810951748659912893543648608740915827392524515885724962690340749549407902382982745819560092851 | 4953192247110314182273537450933911723958926281282581231944053261951688785294979507908996422808754577462799141093785708344200094696040777115413933221376298 | [
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[
0,
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[
0,
0,
4.389558
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] | [
[
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[
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[
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[
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[
4.5066075,
1.5022025,
0
],
[
1.5022025,
4.5066075,
0
],
... | [
true,
true,
true
] | As2Ni2O2U2 | AsNiOU | ABCD | [
"As",
"Ni",
"O",
"U"
] | [
0.25,
0.25,
0.25,
0.25
] | [
33,
33,
28,
28,
8,
8,
92,
92
] | 8 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_472046"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4311/MD_2485527175931995738784311.json | null | {"_oqmd_entry_id": 1031540, "_oqmd_stability": 0.634275568973817, "hash": "2485527175931995738784311269868802462673431185490174509690176080500093734179098801014159561187068056616567455943721242640541847405252336296598450694845316", "id": "MD_2485527175931995738784311"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001386824118202464911718 | 1001386824118202464911718410130072135809546240381697991018496451672057426987303929070662326431944673482936249726172085534523356175083195119417795151330614 | 2025-04-16T17:33:31 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.42095 | null | null | null | null | null | CO_8871778318990484448380896 | 8871778318990484448380896948308872029963200298797418303132855347504490951452078012420777009944182791335916568833829665064613351953332359053008072824212820 | 7914184185074591500549254842502142434638929800992743852660334067343572559042333430772031104476369564652124794635797728295315012504580667475480591066231586 | [
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0
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[
0,
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0
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[
0,
0,
5.666030597
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] | [
[
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0
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[
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0,
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[
0,
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2.8330152985
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[
0,
0,
0
],
[
2.8330152985,
2.8330152985,
2.8330152985
]
] | [
true,
true,
true
] | Ac3AlCl | Ac3AlCl | A3BC | [
"Ac",
"Al",
"Cl"
] | [
0.6,
0.2,
0.2
] | [
89,
89,
89,
13,
17
] | 5 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_570477"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/1582/MD_3233134746814133148131582.json | null | {"_oqmd_entry_id": 1360096, "_oqmd_stability": 0.413595766265159, "hash": "3233134746814133148131582788495232926299817376365571189417900747615471554746664096551746408908455948200227434295411488112081211676631435165312353308645936", "id": "MD_3233134746814133148131582"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001324398965584692581006 | 10013243989655846925810061217040374587571977469715895131768843825798084357627299063776588130615195115630532472581463624076420919346552594640814181855340541 | 2025-04-16T18:44:29 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.186495 | null | null | null | null | null | CO_3350751019918235189034317 | 3350751019918235189034317100213874701201234991657137469624811837380562303112924416790114763231895774567836073602571669054744945873117605474576999695758578 | 13386456265424028352597029152328030524887433545044894365532940171439643148148760043605208945257792526782239198096594165147724497044535311164654042753251060 | [
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[
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0,
3.154527281
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[
3.154527281,
3.154527281,
0
]
] | [
[
3.154527281,
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3.154527281
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[
4.7317909215,
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4.7317909215
],
[
0,
0,
0
],
[
1.5772636405,
1.5772636405,
1.5772636405
]
] | [
true,
true,
true
] | Ga2GeRu | Ga2GeRu | A2BC | [
"Ga",
"Ge",
"Ru"
] | [
0.5,
0.25,
0.25
] | [
31,
31,
32,
44
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_555427"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0058/MD_1045281722609986142090058.json | null | {"_oqmd_entry_id": 1135746, "_oqmd_stability": 0.512058950831843, "hash": "10452817226099861420900584995925050203286817512217831302325565274113361457907314015896407906552382778018086402964912235836666737328919893785382583783325252", "id": "MD_1045281722609986142090058"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001331613959769223510206 | 100133161395976922351020612665708422228717258735383334567465678004529660111377156525116365438445675594002987648378176974728704599394294318566512064636256 | 2025-04-16T15:44:09 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -1.081277 | null | null | null | null | null | CO_6223463640126143147363324 | 6223463640126143147363324764940704099640808997580984458890498036492367626753927751845323312849145846237824962811948615649555374037828656822089016827255282 | 3023648856817758250074465396885965922998530685648784713911092833091394285094120588986088857837964016985023050263318413396861662165975283414587646866472097 | [
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0
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[
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0,
6.836376776
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] | [
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0.902401734432
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[
7.318300650893,
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[
15.875128573612997,
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5.0110641768079995
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[
15.... | [
true,
true,
true
] | Br6Cs2GaHg | Br6Cs2GaHg | A6B2CD | [
"Br",
"Cs",
"Ga",
"Hg"
] | [
0.6,
0.2,
0.1,
0.1
] | [
35,
35,
35,
35,
35,
35,
55,
55,
31,
80
] | 10 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_628419"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0594/MD_7225026138141627730890594.json | null | {"_oqmd_entry_id": 1451270, "_oqmd_stability": 0.246785245251687, "hash": "7225026138141627730890594905255758933975916531235325449862135304046037841729641933300642710747966248589140308639684437843413134510312928335495913542647628", "id": "MD_7225026138141627730890594"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001386963958510694526168 | 10013869639585106945261687447372806517938690344830543003591927809451205572618529474416541863184543763319021813762368219771402034174489284281486242237208767 | 2025-04-16T16:02:27 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.296423 | null | null | null | null | null | CO_8260486562993862625065888 | 8260486562993862625065888846463368143631688033641382623057990771167357173051615510067640745169155150169971108825616574843218471761423989939767446567397698 | 4315428833875289204341134493712843621497669108761502558260610447472578453510383802551651693709289506645160044951805044834590569441872500765560420362090561 | [
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[
0,
5.589388,
0
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[
0.000007,
0,
11.178997
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] | [
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[
8.75e-7,
4.192041,
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[
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[
0.000002625,
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4.192123875
],
[
0.000004375,
4.192041,
6.986873125000001
],
[
3.921411882,
4.19... | [
true,
true,
true
] | Ca8In4Na4 | Ca2InNa | A2BC | [
"Ca",
"In",
"Na"
] | [
0.5,
0.25,
0.25
] | [
20,
20,
20,
20,
20,
20,
20,
20,
49,
49,
49,
49,
11,
11,
11,
11
] | 16 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_496968"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9863/MD_7421869007563415480989863.json | null | {"_oqmd_entry_id": 1018294, "_oqmd_stability": 0.00256892006888604, "hash": "7421869007563415480989863564412451046757104554511986787460654025463876735063997143924887830975749851019243284465226403709746912245672835650743824800993997", "id": "MD_7421869007563415480989863"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001307057933474081516881 | 10013070579334740815168817568036592338528162402704514946190940895107957809474666859212214059657071923766574491363004419810600669330074945548109653677782878 | 2025-04-16T18:04:10 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 1.862926 | null | null | null | null | null | CO_2074259802406292253580416 | 2074259802406292253580416801311055759115396236861426708015060258909855201136002482214796850245265801379725125167265281265753680440405491240802616229456271 | 10383896493583037136929323150209706211001925799252179662597814624571137654714675384970029503355475976022793038790016328451323561364040277874935045290050887 | [
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0,
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[
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0,
3.555217
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[
3.555217,
3.555217,
0
]
] | [
[
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1.7776085
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[
0,
0,
0
],
[
5.3328255,
5.3328255,
5.3328255
]
] | [
true,
true,
true
] | BeKMn | BeKMn | ABC | [
"Be",
"K",
"Mn"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
4,
19,
25
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_744185"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/5772/MD_9087489192854464169445772.json | null | {"_oqmd_entry_id": 902426, "_oqmd_stability": 1.98421733353448, "hash": "9087489192854464169445772357779926672050913454799470923752202584412122141514127090120722074783522359200551601549314717792500559054418912376783162977405283", "id": "MD_9087489192854464169445772"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001335052379754124702991 | 1001335052379754124702991315351851325701856969102791506790553374111135489799118175409804880218412052270275514201483268766840227663897503060073823532393407 | 2025-04-16T20:18:47 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.708077 | null | null | null | null | null | CO_7220167831473378103687197 | 7220167831473378103687197749818157388619407299021053397973628982868602706938403167817492121722528697951586580834950973874655317081757725123763988105506740 | 4220008957464711130036665422518624736031342371594092707436415159437256725988433769875066312451792291060511078778575974171225327125061661324915313849704222 | [
[
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[
3.232291,
0,
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[
3.232291,
3.232291,
0
]
] | [
[
1.6161455,
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1.6161455
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[
0,
0,
0
],
[
4.8484365,
4.8484365,
4.8484365
]
] | [
true,
true,
true
] | HfSnW | HfSnW | ABC | [
"Hf",
"Sn",
"W"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
72,
50,
74
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_677405"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/1088/MD_5845734880478138428191088.json | null | {"_oqmd_entry_id": 925304, "_oqmd_stability": 0.981197731841717, "hash": "5845734880478138428191088309771102981543657369306684877800255624608886006656642263888146953947528638172175871698583675616233768469705230764567820297083111", "id": "MD_5845734880478138428191088"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001382414804147442697024 | 1001382414804147442697024205725015303856771305876214257830316231963494530133882797026158237212785390935257138695713852129670871187100971458662787229756925 | 2025-04-16T17:35:02 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.376337 | null | null | null | null | null | CO_7533528645877478328683687 | 7533528645877478328683687318267351862224528299919550950135825647898797762150449140209363460674355898198123537917273659712351044293068904691042418420179623 | 11186265261078375696945258177028242920853494629733635115063459156152234990668605469858981129620926613248746200067902052249184693364688629616293197353199007 | [
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0
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[
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0
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[
0,
0,
4.600513
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] | [
[
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0.727811793,
3.4503847500000004
],
[
-0.0012615420000001547,
1.457809207,
1.15012825
]
] | [
true,
true,
true
] | LiMn | LiMn | AB | [
"Li",
"Mn"
] | [
0.5,
0.5
] | [
3,
25
] | 2 | 2 | 0 | [
0,
0,
0
] | [
"all_oqmd_757201"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/8036/MD_3364136808601143639448036.json | null | {"_oqmd_entry_id": 1230161, "_oqmd_stability": 0.37633701810345, "hash": "3364136808601143639448036428518102814124947133846428473105772304135830525282448418541612876281039504186747717242213073207674620744219255745589553600869510", "id": "MD_3364136808601143639448036"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001357888194229313731061 | 10013578881942293137310614437028154578648826667822856071156689532456138582192032519238949161950001340641637869493042125009793675158186706690860317598830190 | 2025-04-16T15:23:03 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0.968 | unknown | -0.406201 | null | null | null | null | null | CO_1294032850905446328525215 | 12940328509054463285252159764808062820102692673747050310094272568822000729159157812287590808861945025827081405684299192890331113706774994392134415099775687 | 11735584283994623711611204876073552683402667566876790015306511002929294848744413211488482696524967645889139597218485493848521068792666215091384430232082228 | [
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[
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3.628247742
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[
2.561654268,
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[
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[
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1.7923543845480001
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[
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5.464141099452
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[
1.3225820985683998,
-1.2646887121116,
3.6271592676774
],
[
1.296197059608,
1.23... | [
true,
true,
true
] | H6CuRhY2 | CuH6RhY2 | A6B2CD | [
"Cu",
"H",
"Rh",
"Y"
] | [
0.1,
0.6,
0.1,
0.2
] | [
29,
1,
1,
1,
1,
1,
1,
45,
39,
39
] | 10 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_627878"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/8480/MD_6543364600508157023228480.json | null | {"_oqmd_entry_id": 1452222, "_oqmd_stability": 0.14253778883333246, "hash": "6543364600508157023228480819425365434753514304398481128640737830780474475654599563466359038882183598182845825049564243645351765372859356101563191403837726", "id": "MD_6543364600508157023228480"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001396839201166042159725 | 10013968392011660421597255494941569922355833274073692505302423049622646667857298598185303744524555846025626375178110344457990418945570345160965303192775739 | 2025-04-16T17:44:41 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.029756 | null | null | null | null | null | CO_4179899892208356778958272 | 4179899892208356778958272826787001558705789070927819724126154293404698014198264237984362062616342369859364439401411790134059161422661579497267635302223946 | 1734652670007314244499071184543309428443547693513167873638294329063036165270693822769686278632172367236480192892669457898771751313099992613094802328922914 | [
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[
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0,
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[
3.275181,
3.275181,
0
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] | [
[
1.6375905,
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1.6375905
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[
4.9127715,
4.9127715,
4.9127715
],
[
0,
0,
0
],
[
3.275181,
3.275181,
3.275181
]
] | [
true,
true,
true
] | GdTcZn2 | GdTcZn2 | A2BC | [
"Gd",
"Tc",
"Zn"
] | [
0.25,
0.25,
0.5
] | [
64,
43,
30,
30
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_69694"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9969/MD_5587443704424523260069969.json | null | {"_oqmd_entry_id": 482427, "_oqmd_stability": 0.2945906015625, "hash": "558744370442452326006996974738686925094126325896228600319554036652398308454736567220431237216473522044175119774601940827299730570785024472974887945950064", "id": "MD_5587443704424523260069969"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001310771924064384595776 | 10013107719240643845957760070356133588203106087911292279499662269386465666940870018132252077880347199397358950722543677980402336819294582699256818667510472 | 2025-04-16T17:48:31 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.259603 | null | null | null | null | null | CO_2059571664316987541816945 | 2059571664316987541816945130098161755153483415397696481873422574325680589444425357892567465253454852029573752531889613040356058225336626333088143263229629 | 6607300877272946300283096758725986873470222291064104174656600083505044156470289377733793473661030814687723058073223870457043533338370956227598410344453085 | [
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0,
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[
3.355353,
0,
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[
3.355353,
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0
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] | [
[
5.0330295,
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[
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1.6776765
],
[
3.355353,
3.355353,
3.355353
],
[
0,
0,
0
]
] | [
true,
true,
true
] | FeLuPdSn | FeLuPdSn | ABCD | [
"Fe",
"Lu",
"Pd",
"Sn"
] | [
0.25,
0.25,
0.25,
0.25
] | [
26,
71,
46,
50
] | 4 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_385870"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/5483/MD_1299417038731735577095483.json | null | {"_oqmd_entry_id": 799181, "_oqmd_stability": 0.446077561513286, "hash": "12994170387317355770954833378253498800650177396182116901366271974202538570590491885174656703863322119551682471952294941928505539375102776835381090360227071", "id": "MD_1299417038731735577095483"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001340306724837850235217 | 10013403067248378502352178981637240942123334462257030498122835329675489523036366421641522924591604259273566924087306556477679848648443208302044289170287650 | 2025-04-16T21:12:08 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.900667 | null | null | null | null | null | CO_6690346718068970284788337 | 6690346718068970284788337589022284966394012871777459605716560719258106699527984347090264325677841971869617836824484448462390530331044963391947840105932472 | 10362686233082303313729313284554851436813886254393112826522146028167842227474010624086030803038644910128876243381619911286957861535876315145786547186041468 | [
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[
3.509552,
0,
3.509552
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[
3.509552,
3.509552,
0
]
] | [
[
1.754776,
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1.754776
],
[
5.264328,
5.264328,
5.264328
],
[
0,
0,
0
]
] | [
true,
true,
true
] | HfTmZr | HfTmZr | ABC | [
"Hf",
"Tm",
"Zr"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
72,
69,
40
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_804029"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7099/MD_3605430854830596659427099.json | null | {"_oqmd_entry_id": 989187, "_oqmd_stability": 0.901057112916666, "hash": "3605430854830596659427099317260694728083517108450196496922472747953024569491433913684338791400780788310604839045177995704661325233585583863425467608086429", "id": "MD_3605430854830596659427099"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001369614826536018918526 | 10013696148265360189185266796462348857562606297595249686298627283804700068993780116433201345239019670574400002118563203766229584753814147592517262085187793 | 2025-04-16T16:26:20 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.492123 | null | null | null | null | null | CO_3837544921974441154214818 | 3837544921974441154214818790549356791063472325149704302733503560845933079942186484985807435833557693875018389601091585401203026677452659045969198115267859 | 773497098279109465986219062773373602390189999341988776303087256794371119110470841091335164131546722073647771247497273872488484082571749865032150795754475 | [
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[
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0,
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[
3.507839,
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0
]
] | [
[
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[
0,
0,
0
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[
5.2617585,
5.2617585,
5.2617585
],
[
3.507839,
3.507839,
3.507839
]
] | [
true,
true,
true
] | FePb2Zr | FePb2Zr | A2BC | [
"Fe",
"Pb",
"Zr"
] | [
0.25,
0.5,
0.25
] | [
26,
82,
82,
40
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_717409"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7069/MD_8530721210447004301347069.json | null | {"_oqmd_entry_id": 1111424, "_oqmd_stability": 0.6480280305, "hash": "8530721210447004301347069249513197655233760149990969643350098250163254143377917902984164930728281199955915753481371165974073118680682769253883753451206976", "id": "MD_8530721210447004301347069"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001311520482910754054805 | 10013115204829107540548054836214872069032539912836986320408264627506444359777949296304728946292070030572331123700122369617568443454475019263177379969023144 | 2025-04-16T18:16:41 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.246467 | null | null | null | null | null | CO_2537417258730831274928308 | 2537417258730831274928308083294033241366279791735831369930786805338104339997172933364589678365466916283780113929172630573518287313671597436779675381141627 | 11496671951130074622160625400224324931156958685779696498670774587034185445305257976593049500641506281347486082632519883019258427548773791667925349356306666 | [
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[
3.46035,
0,
3.46035
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[
3.46035,
3.46035,
0
]
] | [
[
1.730175,
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1.730175
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[
5.190525,
5.190525,
5.190525
],
[
0,
0,
0
],
[
3.46035,
3.46035,
3.46035
]
] | [
true,
true,
true
] | FeGdMg2 | FeGdMg2 | A2BC | [
"Fe",
"Gd",
"Mg"
] | [
0.25,
0.25,
0.5
] | [
26,
64,
12,
12
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_125388"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/8253/MD_2148787998691254334698253.json | null | {"_oqmd_entry_id": 395604, "_oqmd_stability": 0.320921506851706, "hash": "2148787998691254334698253369841187350538877411824786349842219363166623573930332821808269095122685094878691184963175595757387577016274107086132423824803716", "id": "MD_2148787998691254334698253"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001351988798623089416759 | 10013519887986230894167592475358736763912959887495319623937189682827288920250807579285319230208244903437756865586808104742925259491054595828652505709327674 | 2025-04-16T18:27:25 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.18656 | null | null | null | null | null | CO_1861674436179982141990072 | 1861674436179982141990072640732019124960247011466047441017446375377973287326353971176830503663271658448882765474571829350048786663384813689983445262490195 | 2486768717287986372791458266450860320538040485356198535627330391004241869392906541041216795193974716580017789859102408839268528588431324150504422474376751 | [
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[
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0,
3.780468267
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[
3.780468267,
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0
]
] | [
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[
0,
0,
0
],
[
5.6707024005,
5.6707024005,
5.6707024005
]
] | [
true,
true,
true
] | BaCeGa | BaCeGa | ABC | [
"Ba",
"Ce",
"Ga"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
56,
58,
31
] | 3 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2109/MD_1288574350971694140842109.json | null | {"_oqmd_entry_id": 920556, "_oqmd_stability": 0.566830886901353, "hash": "12885743509716941408421092123394841742647648318292736530155286922497567671967234748711599941047517556039857720431247713389107986615745871705316247498929879", "id": "MD_1288574350971694140842109"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001394402694940282580791 | 10013944026949402825807913963852445643277329875641092461524470174490369077547502951062640261925359568964913390723460438566926838682708712088016537645271760 | 2025-04-16T18:32:29 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.726771 | null | null | null | null | null | CO_1009043247560424545808803 | 10090432475604245458088039380749113627920683617892510930501895344151401014493586405736931555880248182423106598341834023625409856459841096158942846592912337 | 1889143182273004359132168231224927109751202256317148538358914022281152386067009551411807376094517020735403455982024385132570269873144247826562814823446173 | [
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[
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] | [
true,
true,
true
] | Dy2Ti | Dy2Ti | A2B | [
"Dy",
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] | [
0.6666666666666666,
0.3333333333333333
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66,
66,
22
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0,
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0
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PO_1001347063761443358226305 | 10013470637614433582263054799841792089192344774895387256826820076169720739892627210365181936660533907542355111312673282928175211645111208189171174433949906 | 2025-04-16T18:26:36 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.15103 | null | null | null | null | null | CO_1139488720064704635344975 | 11394887200647046353449752196061821925705141943135791636600092853886494866243086919103131415473429735327033454764609263932395310216945225413934607012440758 | 7763682572485381212529472820422210027897757460061417050629918824467028798048055315226803177111443488134717986758634028716562784913692897922154978057831151 | [
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[
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0
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[
3.301006,
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] | [
true,
true,
true
] | CrHfInZn | CrHfInZn | ABCD | [
"Cr",
"Hf",
"In",
"Zn"
] | [
0.25,
0.25,
0.25,
0.25
] | [
24,
72,
49,
30
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0,
0,
0
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PO_1001363023151092020342217 | 10013630231510920203422173033383007876828160280738126597326301200212823779239301223722782490294641095775636883782323896790128742140876429191387951324344759 | 2025-04-16T17:42:42 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.308392 | null | null | null | null | null | CO_3527584960993170943193993 | 3527584960993170943193993905141227881443575073501735451638932736985410210716166106423530014087872333984336454484341905776074775678362638323499093969507059 | 7777780666159009566712009183753214705054884187304244160897084567991462518583375063883608987076802216699253532425026824533615740355781145597060045065166059 | [
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[
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[
4.9402335,
4.9402335,
4.9402335
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] | [
true,
true,
true
] | Ir2NdRu | Ir2NdRu | A2BC | [
"Ir",
"Nd",
"Ru"
] | [
0.5,
0.25,
0.25
] | [
77,
77,
60,
44
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0,
0,
0
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"all_oqmd_57451"
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PO_1001305205811320260377373 | 10013052058113202603773739200535113436454282459861110072683245906066440215189995141036700348615591918073882274281331787818522741258371720101502614294644276 | 2025-04-16T16:56:16 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.040083 | null | null | null | null | null | CO_5343669798483601330552574 | 5343669798483601330552574955750588740130973181352105242140780335866213365797023007742554916857648710121004832083101249449573212010473342011982931135680217 | 2328163555491167640557444654625583945831234121942746306062611278735727081312655285540801775273376706528929669395473073275418326979179091149396117431476193 | [
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[
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[
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] | [
true,
true,
true
] | MgRbSn2 | MgRbSn2 | A2BC | [
"Mg",
"Rb",
"Sn"
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0.25,
0.25,
0.5
] | [
12,
37,
50,
50
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0,
0,
0
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PO_1001382826195276972932138 | 10013828261952769729321384659240699750299480940200376701228732731790182458248774897097220798795543742262224069548856293350654289986179217249352717379617563 | 2025-04-16T17:05:19 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.18291 | null | null | null | null | null | CO_1151001977932992172226549 | 1151001977932992172226549786387231582741901216292587571657530079740719178143323505480738390817355622402366382681572858828858005412957415085958217495754638 | 3418575254275067462018842062332177755069116347223325234283201812517207180634183343452265294345220000775270817226783186961187197098212639557905772750147677 | [
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[
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4.859496,
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[
0,
0,
0
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] | [
true,
true,
true
] | GeHoV | GeHoV | ABC | [
"Ge",
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"V"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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32,
67,
23
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0,
0,
0
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PO_1001338491444940407076265 | 10013384914449404070762652582154662185609033690158625854427493669705829111313047060153225174018874492317200574308439944091047881220739798124806586156363619 | 2025-04-16T16:56:48 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.939304 | null | null | null | null | null | CO_1457419172109274612073276 | 1457419172109274612073276787394742030304280711400745205038163194653151254570211009136338516449434013500685333998475085209409309396661304126505982695233144 | 1258007915516558572885961056027814536406409332605441762064846019966586801391439511733240810430457460355215694975332151996639885953935288218942284249347518 | [
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[
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[
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true,
true,
true
] | Ga4Pt4Yb2 | Ga2Pt2Yb | A2B2C | [
"Ga",
"Pt",
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] | [
0.4,
0.4,
0.2
] | [
31,
31,
31,
31,
78,
78,
78,
78,
70,
70
] | 10 | 3 | 0 | [
0,
0,
0
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4731/MD_5678874127310513252924731.json | null | {"_oqmd_entry_id": 1368423, "_oqmd_stability": 0.0, "hash": "5678874127310513252924731419045145854806646450606958647629569270126871849797108123149992642419164409422419082412678606512008087527274489545528519019508809", "id": "MD_5678874127310513252924731"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001307221223787681099170 | 10013072212237876810991701480159687923643314347841037157935479790727412095288652174253210316438918066791245567448191671470702991145061075975813612177392400 | 2025-04-16T16:06:55 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.4243 | null | null | null | null | null | CO_1181413517541059169805298 | 11814135175410591698052989971951157263017770735968843042580366729396926519507780018973702571602617966313118243464003928580219882480966703742707975648181431 | 2634719129927796278382551099046866067981256823436561760113553719076749837087354975187806990202725157331623115328759991370152624622633921987071476193689633 | [
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[
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true,
true
] | Pa2Te6 | PaTe3 | A3B | [
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0.25,
0.75
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91,
91,
52,
52,
52,
52,
52,
52
] | 8 | 2 | 0 | [
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0
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PO_1001380995906923034211795 | 1001380995906923034211795607377629138546164353990449823499841201758423547161952013659066992670479132686830068038720731087884855346063374385971161051514287 | 2025-04-16T17:08:25 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.002119 | null | null | null | null | null | CO_5050435125518727560750808 | 5050435125518727560750808303851064923117982088081916609281101467910608033114042551405433094766447251104037382089314770590569198789366235890248632407235568 | 737744440916680316401186890743455861425422722274775165009386667448798944829125520406996220965873923770679953499665996565124018914965530755980053840112011 | [
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[
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5.7889995
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[
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0,
0
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] | [
true,
true,
true
] | RbSnTl | RbSnTl | ABC | [
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"Tl"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
37,
50,
81
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0,
0
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PO_1001306548826458572264217 | 10013065488264585722642179513557210037912365653479028594812340947493735778412128552373998734190240839737564932552849602340898020365851516736659187169626991 | 2025-04-16T16:47:26 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.364558 | null | null | null | null | null | CO_5938755659059402628757808 | 5938755659059402628757808604845337064503964191600251943855035975706356252279045994882498444946092506039390752604447477948759531629736206253127270061401316 | 12883985944188658648147211635117971012839627203871145678927701071201391974472455873900602604903263977553212166130459055763956751882873602511888608834058982 | [
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[
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[
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] | [
true,
true,
true
] | As2CsIn | As2CsIn | A2BC | [
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] | [
0.5,
0.25,
0.25
] | [
33,
33,
55,
49
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0,
0,
0
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PO_1001393256427139674408190 | 10013932564271396744081900680829172397726975067792457045942976058219338023007975257701426379619349619961306561053301013061200637904047221864013530186349370 | 2025-04-16T15:42:57 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.64228 | null | null | null | null | null | CO_1138652895526230524096833 | 11386528955262305240968337819605966192968921119351559649090828680209643612981529174158391413965888606873671284865307684705909958426246351568487841856859694 | 1382330177259211808663429218061623392089002430984592154655978205526391271868193192718559929399318549574897016982355894611068397683412692006966886766556851 | [
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[
1.9065309810000002,
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true,
true,
true
] | Cu2O2Pb2Te2 | CuOPbTe | ABCD | [
"Cu",
"O",
"Pb",
"Te"
] | [
0.25,
0.25,
0.25,
0.25
] | [
29,
29,
8,
8,
82,
82,
52,
52
] | 8 | 4 | 0 | [
0,
0,
0
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PO_1001330860659791856173173 | 10013308606597918561731738101735809258696376062565986970338644502461965250261808693518092633788989982984174469570460195550266561109989107558311064278047862 | 2025-04-16T21:51:46 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.406699 | null | null | null | null | null | CO_6855590417354899464050988 | 6855590417354899464050988245207291744006670986700870870393091597768988454083210762114750955792795394617440135714122832833979822824927382178493280902327049 | 7026285761916386848227030204134373272959989269132030803562867367131906305565514949628768316622281833003957911682260533735605790390918863792157238558173937 | [
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[
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[
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[
5.301552,
5.301552,
5.301552
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[
0,
0,
0
]
] | [
true,
true,
true
] | DyHgTm | DyHgTm | ABC | [
"Dy",
"Hg",
"Tm"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
66,
80,
69
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0,
0,
0
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"all_oqmd_499859"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/8444/MD_3631940943239989180538444.json | null | {"_oqmd_entry_id": 869609, "_oqmd_stability": 0.708418104841931, "hash": "3631940943239989180538444130428943508820051890368003766279953824693038441345932896097941355312282420965088216076896142445235655193946426942131671983639125", "id": "MD_3631940943239989180538444"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001384950904478138663401 | 10013849509044781386634013548751069181574089239097073614804974449805646384114147656753024833880940604201780574543739219424277374052781156682759025781228564 | 2025-04-16T22:03:29 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.051034 | null | null | null | null | null | CO_1221235389481949260563875 | 12212353894819492605638750662875501598446523487009441577490480294395289254174899667684973965920592281526222701215276876319513639557795240597808479824922968 | 11422143298432519670524945217208441182756908006240767191133670739817054659552814494475829546482368592217342469860360634919326062709932578082255372349619075 | [
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[
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[
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0
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[
1.7095855,
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1.7095855
],
[
5.1287565,
5.1287565,
5.1287565
]
] | [
true,
true,
true
] | LiPbScTi | LiPbScTi | ABCD | [
"Li",
"Pb",
"Sc",
"Ti"
] | [
0.25,
0.25,
0.25,
0.25
] | [
3,
82,
21,
22
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0,
0,
0
] | [
"all_oqmd_297147"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7516/MD_1273022632653651352857516.json | null | {"_oqmd_entry_id": 708437, "_oqmd_stability": 0.255419582608536, "hash": "12730226326536513528575166014813052663774710943171549303431780081285180105441629615432149138247874515341335418017466471668103557782920810570270732228699355", "id": "MD_1273022632653651352857516"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001376480340732891229206 | 10013764803407328912292068518857919539719281043170310706451604266901970831634160823372215784461212180120588458714247527615427985756946051186147954543776497 | 2025-04-16T19:05:49 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.432346 | null | null | null | null | null | CO_1333621310989286859259470 | 13336213109892868592594703053168723709394920822932172576704065840454639107999331562101577000207660222725491493588082331100502315084113098268617876162271502 | 5169171567511130735090103202971421188588804602201392089416338313154192808139787423217122077837717406954769842531103450788809853559539716139882711850199477 | [
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[
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[
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4.210324
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[
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2.105162,
2.105162
],
[
6.315486,
6.315486,
6.315486
]
] | [
true,
true,
true
] | Ba2TbZn | Ba2TbZn | A2BC | [
"Ba",
"Tb",
"Zn"
] | [
0.5,
0.25,
0.25
] | [
56,
56,
65,
30
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_138649"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0348/MD_1774304853826157186100348.json | null | {"_oqmd_entry_id": 419241, "_oqmd_stability": 0.534938071333333, "hash": "1774304853826157186100348593556116705129362851194447907615867970899901174912961366660529645267395306828324762060871746673263603412298695104235299939618201", "id": "MD_1774304853826157186100348"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001374009888191931909680 | 1001374009888191931909680303177463859352979994252759596857170991755022404308951041452595760401263186325714803836367468884986815691264881066583027536205715 | 2025-04-16T16:44:56 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.273705 | null | null | null | null | null | CO_1300307325295337809737409 | 13003073252953378097374098838670392330066554863901362761630689964472840768961732316083823116175227640105939921759693900630212412215574464152647042771267358 | 10118779813915334683205701475157865346555036402654104706892426645646639525533763603154168129218062077338281904552214505035009714130774924728092601156440391 | [
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[
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[
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0
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[
0,
1.9718838485,
1.1... | [
true,
true,
true
] | Mo2N2O2Tl2 | MoNOTl | ABCD | [
"Mo",
"N",
"O",
"Tl"
] | [
0.25,
0.25,
0.25,
0.25
] | [
42,
42,
7,
7,
8,
8,
81,
81
] | 8 | 4 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2262/MD_2934657713361066251662262.json | null | {"_oqmd_entry_id": 1074940, "_oqmd_stability": 0.676900868572282, "hash": "2934657713361066251662262885884260869078542617563216306989746401258214256732645949645286497908283065890557013042302250844358267531804959636154517845252706", "id": "MD_2934657713361066251662262"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001365371495286237667801 | 1001365371495286237667801545585384511963580193969990839582366290775323826940508597132870926290390561058776790142460238622915464186990001891630051758063015 | 2025-04-16T21:43:25 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 1.51 | unknown | -1.65991 | null | null | null | null | null | CO_3633909064629902281681272 | 3633909064629902281681272553453191752326084324813400675121800686649648011935270823836871748876094437917349444647777542233991493573440118550879598840741221 | 84239817441523892117156891732750130479137279864858171644092895871555535960891307591664592500641151838533530873870941352507794290468804305337435276673173 | [
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[
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0
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[
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[
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[
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3.5226694555239995
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[
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7.942281376926985e-17,
6.658456138476
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] | [
true,
true,
true
] | CdLi2O2 | CdLi2O2 | A2B2C | [
"Cd",
"Li",
"O"
] | [
0.2,
0.4,
0.4
] | [
48,
3,
3,
8,
8
] | 5 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6159/MD_1318796723252632571536159.json | null | {"_oqmd_entry_id": 1442261, "_oqmd_stability": 0.029306006000000107, "hash": "13187967232526325715361595788668843398515616630183010212796819720374204022368574989722827995822898031386231238415976497169672823849180366715546295702086573", "id": "MD_1318796723252632571536159"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001351767912530774825849 | 10013517679125307748258498423633949986731555801219619666761496827641742959926717846479876858108754408371609808283726966135154873124103533960137057247783230 | 2025-04-16T21:51:46 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.226871 | null | null | null | null | null | CO_9497804467290610204899005 | 949780446729061020489900524962480658136483180891830921853988438157081015059388392962126289243380256995231809367750088294450441100296035175004722711739837 | 3772799979668377156856100142898482791228249052971986699724949049284084675027493805633603802274035950334857889145869579003907251521961056864164102174427232 | [
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[
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] | [
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[
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[
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1.5769155,
1.5769155
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[
0,
0,
0
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] | [
true,
true,
true
] | AgCoRuSn | AgCoRuSn | ABCD | [
"Ag",
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"Ru",
"Sn"
] | [
0.25,
0.25,
0.25,
0.25
] | [
47,
27,
44,
50
] | 4 | 4 | 0 | [
0,
0,
0
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7770/MD_5030854786031394660257770.json | null | {"_oqmd_entry_id": 765312, "_oqmd_stability": 0.323330109253817, "hash": "5030854786031394660257770654835303362124133177915360963689478253010316340330631355860386715798985932278326557826496414643737850828398334132632933761748745", "id": "MD_5030854786031394660257770"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001348601102323516603785 | 1001348601102323516603785185050309741620270929863164033683124831506007438483562770005671813904792536664744087198430642814085228586091794805197126280133869 | 2025-04-16T21:12:08 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.504999 | null | null | null | null | null | CO_4427696235813306793969597 | 442769623581330679396959716706949954841988353525183568865152480522200488525196857431570072059119643487947520372252946412253830879471287964564336405156325 | 11449879847994667554774367263892873058323056093322169689943333632863943921566780922507262931448909902418344328909946606777528532402314913305630991282202753 | [
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[
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[
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3.350122
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[
5.025183,
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5.025183
]
] | [
true,
true,
true
] | MoU2V | MoU2V | A2BC | [
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"U",
"V"
] | [
0.25,
0.5,
0.25
] | [
42,
92,
92,
23
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/8979/MD_4927403936814534462438979.json | null | {"_oqmd_entry_id": 440165, "_oqmd_stability": 0.565394680000001, "hash": "4927403936814534462438979667169620027899779676469247062376692690862688994224076248658823258742546183259715573640267811553226763786194897472494857905610713", "id": "MD_4927403936814534462438979"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001331389525304481569621 | 10013313895253044815696210698792512323700426459564113501187815632776616606840379474675980741733606565624447515797913289532385785142596189543947978385743360 | 2025-04-16T20:58:52 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -1.154837 | null | null | null | null | null | CO_4313654143836754967357165 | 4313654143836754967357165496505547894408128570512050694257034784658353461424977354239833083692008403343566863774822066753962228710493415540241094852562224 | 12488445086745420949471762500194209045063840440987216847255974899044046244705770213252919785329604057494985320413275059163482994344361212436084861256047356 | [
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] | [
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[
3.4235370474000004,
-2... | [
true,
true,
true
] | O14Os4Tl4 | O7Os2Tl2 | A7B2C2 | [
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] | [
0.6363636363636364,
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8,
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8,
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8,
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8,
8,
8,
76,
76,
76,
76,
81,
81,
81,
81
] | 22 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_777073"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7865/MD_1247299642028393865327865.json | null | {"_oqmd_entry_id": 1281412, "_oqmd_stability": 0.04166188363637002, "hash": "1247299642028393865327865016837804019468043282765319066281190192239395660820843755176574830533862121301445173123273625051723973008879342404476686487648398", "id": "MD_1247299642028393865327865"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001356778014329098306141 | 1001356778014329098306141687448920019965342599277915012559335895501147100706492563647051070859915319025760932252355817082143181883876103036174956561551587 | 2025-04-16T18:54:19 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.303678 | null | null | null | null | null | CO_1052856917778917604662430 | 10528569177789176046624306094023703812840652952552710995618504840086097770526992245299374198911157575214369293159194429120563383554070326782682012534138071 | 10592596989285631921151734544013461121452771860029642857058789182546124068200543772052961917757774605123052801410603519350373078505504500856697430999214607 | [
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[
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4.008084
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3.006063
],
[
-0.0013721630000000453,
1.584841358,
1.002021
]
] | [
true,
true,
true
] | AgBe | AgBe | AB | [
"Ag",
"Be"
] | [
0.5,
0.5
] | [
47,
4
] | 2 | 2 | 0 | [
0,
0,
0
] | [
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PO_1001384490761700463729105 | 10013844907617004637291055572611073182779108853806304450961911850281542718475052180929174628115978224256277261115456548204367013158280401972471049461421043 | 2025-04-16T16:04:42 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.472822 | null | null | null | null | null | CO_9400351371271434955458639 | 9400351371271434955458639440341735440552454377122053712045360236979321767232554982610891260308203587351206971299129570892902501287180471459626886940952390 | 5389186440638996977199355357809509596064862488011642221523504727749649699675067809804905270177526595159441088208892407384281780353897111028562032435762414 | [
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[
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0
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[
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[
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[
0,
0,
0
],
[
3.564796,
3.564796,
3.564796
]
] | [
true,
true,
true
] | AuEuU2 | AuEuU2 | A2BC | [
"Au",
"Eu",
"U"
] | [
0.25,
0.25,
0.5
] | [
79,
63,
92,
92
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_48763"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0250/MD_9997728922073277056190250.json | null | {"_oqmd_entry_id": 440339, "_oqmd_stability": 0.968300395, "hash": "9997728922073277056190250649917817180499536763437338854768162584775208524767680290443446184319217240870025749113562342239721261364693199792550432146605427", "id": "MD_9997728922073277056190250"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001396338022254005461555 | 10013963380222540054615550733322643146310509191426103551419214632509669654351018473003808585338201801431308308143305755552335433682365803537347849623135313 | 2025-04-16T15:45:35 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.029069 | null | null | null | null | null | CO_5134758662655934537866828 | 5134758662655934537866828097599465604039423494437366004183554151087774744799170094499895726871541201787721399926571268389243476218392628202986568514385983 | 9662011771108369303345818470608641950777374353908534881090574264402528833583890786714700065583384161275369512379720516443829765120956465878472638748312680 | [
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[
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2.659622779,
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[
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[
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3.5878311288710005,
2.1979862703750004
],
[
1.602926643,
0.9308679726500001,
1.9844676041099996
],
[
... | [
true,
true,
true
] | B4TlTm | B4TlTm | A4BC | [
"B",
"Tl",
"Tm"
] | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
5,
5,
5,
5,
81,
69
] | 6 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_639533"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/1874/MD_4433042302618430761541874.json | null | {"_oqmd_entry_id": 1458846, "_oqmd_stability": 0.512241580150644, "hash": "4433042302618430761541874621763866712520424024014614136978892249472542775832604522094812729797964460738023965944564949953643094177775568317863189717187583", "id": "MD_4433042302618430761541874"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001328636514615184350995 | 10013286365146151843509956165465766766281967269008551032308296545779260996043632248372066450123928278790992263926324882711516176144418139456633524625409908 | 2025-04-16T16:07:30 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -2.041969 | null | null | null | null | null | CO_1315901841939289242782693 | 13159018419392892427826937203083460666544922641018514915918092313409470116958111215655573299952063125205828381963218659370993428983505241206820503158939690 | 4266728133099268831150431018917727904100162985976956488911541197070368204494914280847892436654710695196804554948742107644030024535737765860956756797870909 | [
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[
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0
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[
0,
0,
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] | [
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[
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0
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[
2.0041490825,
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[
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[
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1.139168557366
],
[
2.0041490825,
0,
7.556774628633999
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[
0,
0,
4... | [
true,
true,
true
] | O2P2Sm2V2 | OPSmV | ABCD | [
"O",
"P",
"Sm",
"V"
] | [
0.25,
0.25,
0.25,
0.25
] | [
8,
8,
15,
15,
62,
62,
23,
23
] | 8 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_550598"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3826/MD_3496325032357718839523826.json | null | {"_oqmd_entry_id": 1089196, "_oqmd_stability": 0.153161467588668, "hash": "3496325032357718839523826168284725413855152444528493887138773169399608368027111470038754151243497119987527776948587999037849935208324282543456659520796069", "id": "MD_3496325032357718839523826"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001316594240854104097202 | 100131659424085410409720206052391401147973870875055462887638562119494756713947441393979247613229711267631599192860947122417017438248639697514147788289452 | 2025-04-16T16:06:08 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.799077 | null | null | null | null | null | CO_7166056713881617422510941 | 7166056713881617422510941251704941920331439165116798036932194928260353422495415083698646468195760367310948947029870445450051715582035490598309701225478753 | 2792721247396977168772675390859645091778067826205859992771997061148846370432316093036566693584763579928078856313708729680967565435249284486002073449353634 | [
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[
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[
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0
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] | [
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[
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[
0,
0,
0
],
[
3.831525,
3.831525,
3.831525
]
] | [
true,
true,
true
] | DyErU2 | DyErU2 | A2BC | [
"Dy",
"Er",
"U"
] | [
0.25,
0.25,
0.5
] | [
66,
68,
92,
92
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_49114"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/8716/MD_1330204836198209858028716.json | null | {"_oqmd_entry_id": 442002, "_oqmd_stability": 0.799076920833333, "hash": "13302048361982098580287164600957974256269771980899033128061322615893402946455855743598808772453038791315699719683858891678652279727435480945559101783703133", "id": "MD_1330204836198209858028716"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001391144455221018337058 | 10013911444552210183370585019962666489988385075006332384953556280444298456820661689879824332678399197031044119263024029856988664995647869394748499320268621 | 2025-04-16T16:07:10 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.486244 | null | null | null | null | null | CO_1159752092242514396220111 | 11597520922425143962201116774423134033981174548231716404247859329967116701206613393220569842500183970782415632542097136445476366876083201774824725272774268 | 2382802975820057041855390321192677844657737088481997380042937473134209354717991245754977935444253781109228738252756423268912372748100843569513709465820976 | [
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[
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0,
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[
3.201472,
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0
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] | [
[
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4.802208
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[
1.600736,
1.600736,
1.600736
],
[
0,
0,
0
],
[
3.201472,
3.201472,
3.201472
]
] | [
true,
true,
true
] | CrMgPbV | CrMgPbV | ABCD | [
"Cr",
"Mg",
"Pb",
"V"
] | [
0.25,
0.25,
0.25,
0.25
] | [
24,
12,
82,
23
] | 4 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_287897"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0796/MD_1163766994885777122920796.json | null | {"_oqmd_entry_id": 699297, "_oqmd_stability": 0.55490784, "hash": "11637669948857771229207969526988916890534017566264219422800193147973094771114094737910537985551377460485696403350066393594148630652376927457902542213093420", "id": "MD_1163766994885777122920796"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001371430910165644926440 | 1001371430910165644926440471832572197112072699676643453254088674330107677477180674046405528294191925532604433029570850090086481188136338208764643422444629 | 2025-04-16T18:07:48 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.71054 | null | null | null | null | null | CO_1980505269996901896786706 | 1980505269996901896786706272551752849196041772326931322730410189244298026477237804233247490064934150555449023499915005794089646776986605918627864605627172 | 7532941263993987181098938968658984995094916764060184305986097732762980315306237497513665507662097584766483216941018374610664139070421891993372508437148485 | [
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[
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[
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[
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[
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4.9906725000000005
],
[
1.6635575,
1.6635575,
1.6635575
]
] | [
true,
true,
true
] | AsPd2Y | AsPd2Y | A2BC | [
"As",
"Pd",
"Y"
] | [
0.25,
0.5,
0.25
] | [
33,
46,
46,
39
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_326851"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3254/MD_9454837394653703604423254.json | null | {"_oqmd_entry_id": 738298, "_oqmd_stability": 0.256145363625001, "hash": "9454837394653703604423254004510173462422263733886720164836733984027371403060477752054629161661088877616587687579894612482399473201188006347137237346165593", "id": "MD_9454837394653703604423254"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001378373861301832523414 | 10013783738613018325234142728248828104918845789969764001344184252450060813193124486223547027770587999432949231591064470967285658096391677082285735814639705 | 2025-04-16T15:44:21 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -1.197459 | null | null | null | null | null | CO_5640228473987060615951699 | 564022847398706061595169967616541772247550611326649529899779868413211333253555562078177032727300172297918910934734723112073625411372385409416843807290249 | 12674502948033387130932337147650176015084760415128120029017504917285170691155784536306298813524601367948914307016153784631774003847382496844731954803364810 | [
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0
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[
0,
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0
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[
0,
0,
9.323221
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] | [
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[
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[
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[
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[
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[
1.915041,
0,
1.967199631
],
[
0,
1.915041,
7.3560213690000005
... | [
true,
true,
true
] | F2MgMn2Te2 | F2MgMn2Te2 | A2B2C2D | [
"F",
"Mg",
"Mn",
"Te"
] | [
0.2857142857142857,
0.14285714285714285,
0.2857142857142857,
0.2857142857142857
] | [
9,
9,
12,
25,
25,
52,
52
] | 7 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_809097"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9808/MD_9281827643326323855959808.json | null | {"_oqmd_entry_id": 1250175, "_oqmd_stability": 0.494537364026683, "hash": "9281827643326323855959808985037432252871690809187123643359263197745834768516215984556646440381933736358028637536637775974070887710054111313705618926019316", "id": "MD_9281827643326323855959808"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001382570534442722220983 | 10013825705344427222209831769241814213769162623468802993892482840323440540995200698666330206242738702552004596250595517582214187324222131865728172678269280 | 2025-04-16T17:07:03 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.041616 | null | null | null | null | null | CO_9024118062712836166198563 | 9024118062712836166198563851592556236779173612530699257295114022723561684720388989268311068250489943892756707629287335031700945021833816299174652809018138 | 12964745926255522247393804867133458854942255210280576601447501782356337901487885135072736474480289163912329475257416470118643563485738283209861978568115851 | [
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[
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[
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] | [
[
0,
0,
0
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[
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3.014403
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[
1.5072015,
1.5072015,
1.5072015
],
[
4.5216045000000005,
4.5216045000000005,
4.5216045000000005
]
] | [
true,
true,
true
] | Mn2VZr | Mn2VZr | A2BC | [
"Mn",
"V",
"Zr"
] | [
0.5,
0.25,
0.25
] | [
25,
25,
23,
40
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_158958"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4902/MD_8628309788061380057154902.json | null | {"_oqmd_entry_id": 472933, "_oqmd_stability": 0.168127849374998, "hash": "8628309788061380057154902998743846036428434781339438479447881004290349575346958842850212859778311150604709114043419422247708943328076440635022758765555144", "id": "MD_8628309788061380057154902"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001305180844750486101609 | 1001305180844750486101609909100032267983280700828411759328063301252621522332498017844581668086375994418448457778199695528667593799195752842539006816498785 | 2025-04-16T17:57:37 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.851279 | null | null | null | null | null | CO_4703321190438567511429586 | 4703321190438567511429586342968739061603101926492154558752062395909287414967847391790230073969971843109472338631416986786603960648134499242908853123821590 | 887242433568966418720683950393037811025245717109819462371163510835790383696019799929388780839189681424318438684208892674072198239680918070778541429992054 | [
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[
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[
3.491633,
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0
]
] | [
[
1.7458165,
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[
0,
0,
0
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[
3.491633,
3.491633,
3.491633
],
[
5.2374495,
5.2374495,
5.2374495
]
] | [
true,
true,
true
] | FeNp2Tb | FeNp2Tb | A2BC | [
"Fe",
"Np",
"Tb"
] | [
0.25,
0.5,
0.25
] | [
26,
93,
93,
65
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_196991"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3339/MD_1057867007011640757623339.json | null | {"_oqmd_entry_id": 519937, "_oqmd_stability": 0.851279431958332, "hash": "1057867007011640757623339190900055394293041373200637471551436982813000242130624603436775802651921714466995517640826466424637970311381951999063975016294839", "id": "MD_1057867007011640757623339"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001373008104504967238527 | 10013730081045049672385278574986886421505440439020736491349297860365094173521524993863754987689755280344227667189362855806170393786677570265224476890984892 | 2025-04-16T17:27:48 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.580757 | null | null | null | null | null | CO_9357468867276514990614358 | 9357468867276514990614358817302849768696842290278302468959934026663656030409279739602009960686561020907385251731371208444365500608164359639853182558172312 | 3116910478240926739242467619283611104856314423520180506301221803105692652127521181021424540589744390067470644943931494820950857235466030711509763685282158 | [
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[
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0,
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[
3.083149,
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0
]
] | [
[
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1.5415745
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[
4.6247235,
4.6247235,
4.6247235
],
[
0,
0,
0
]
] | [
true,
true,
true
] | HfRuW | HfRuW | ABC | [
"Hf",
"Ru",
"W"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
72,
44,
74
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_695856"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/1411/MD_1101149232497191321611411.json | null | {"_oqmd_entry_id": 969202, "_oqmd_stability": 1.12275847604334, "hash": "11011492324971913216114117663623103619661125557089966350194119753287690798283472756650540109460020580189852278454649337182619659638588152756488885489753491", "id": "MD_1101149232497191321611411"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001374450454630024486387 | 10013744504546300244863873749090327701715440091322083388559310090817926504252717142402642208920479800541417917318713210731375381029343158077872363842563744 | 2025-04-16T16:45:28 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.265403 | null | null | null | null | null | CO_1031838072573190686049658 | 1031838072573190686049658417573870850376325197518881765185962630760528230273626692636990760291530658876328038155996203306406058842789933155712122384971688 | 10343590858309469683220581085734939074564339638199104111291993450132872098578586584040483570206170774844061173990211755186238534700769707532134521925187158 | [
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[
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0,
3.672431455
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[
3.672431455,
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0
]
] | [
[
0,
0,
0
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[
1.8362157275,
1.8362157275,
1.8362157275
],
[
5.5086471825,
5.5086471825,
5.5086471825
]
] | [
true,
true,
true
] | AuNpSr | AuNpSr | ABC | [
"Au",
"Np",
"Sr"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
79,
93,
38
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_611941"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0236/MD_1276842768390111641800236.json | null | {"_oqmd_entry_id": 947711, "_oqmd_stability": 0.7542658361943144, "hash": "12768427683901116418002369546744920095320482898839409482047359664413590417589941953375101461641867322099078757204902421714104996784621909100682434674840290", "id": "MD_1276842768390111641800236"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001311655837703230999994 | 10013116558377032309999943280984721164030605404651533922612346162124951578143415624540853178407519788700555652301265698466561174571697871455107229142971015 | 2025-04-16T21:51:00 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.273745 | null | null | null | null | null | CO_9956124623430805178679969 | 9956124623430805178679969022158402050232720042382140862211333392096020123608666710627629887620406598441022814787562336070218450262659414768570097681580013 | 3180619612008188693911702997838522152929720498831350184917120116394422589735511496288426809586735087221074895943453048959688208385885400183037652497976206 | [
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[
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0,
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[
3.778564,
3.778564,
0
]
] | [
[
1.889282,
1.889282,
1.889282
],
[
5.667846,
5.667846,
5.667846
],
[
0,
0,
0
]
] | [
true,
true,
true
] | AlAuBa | AlAuBa | ABC | [
"Al",
"Au",
"Ba"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
13,
79,
56
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_495102"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6678/MD_5446159096186417916946678.json | null | {"_oqmd_entry_id": 864636, "_oqmd_stability": 0.845291329355586, "hash": "5446159096186417916946678285431137557332944929276494948115365920549172298734334434817129193964890641555566220745064057902141656147864684515328220360611383", "id": "MD_5446159096186417916946678"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001359750892031817249173 | 10013597508920318172491738577537048374963642430322584827472411639032311716475635084753263404660630633297519620278493387636423608436205598248437219464154547 | 2025-04-17T17:35:57 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.114274 | null | null | null | null | null | CO_8158280722300531051990726 | 8158280722300531051990726046854664145626070796784163928586863962154396090758053940729065269761116599158243479961641226924857119995826816036639644290244238 | 3431198987083101853511674500139114378048051020429466300119309671214431215749312296628972291013318165605047684147909440695530829687926722346068581168506029 | [
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[
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0,
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[
3.492963,
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0
]
] | [
[
0,
0,
0
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[
3.492963,
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3.492963
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[
1.7464815,
1.7464815,
1.7464815
],
[
5.2394445,
5.2394445,
5.2394445
]
] | [
true,
true,
true
] | Ga2NpU | Ga2NpU | A2BC | [
"Ga",
"Np",
"U"
] | [
0.5,
0.25,
0.25
] | [
31,
31,
93,
92
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_197541"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7034/MD_5341733512324572709197034.json | null | {"_oqmd_entry_id": 520462, "_oqmd_stability": 0.264656720647749, "hash": "5341733512324572709197034755919598292873944493319078103395783456382855974955187625868046672637596836175163288902779387423254215534146752800742071591988698", "id": "MD_5341733512324572709197034"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001345758347355515020110 | 10013457583473555150201103603764654832467151268911877781767259728335855198423682588797656017262804886001560370821568950676501992480554014621740140414035076 | 2025-04-16T20:41:25 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.330012 | null | null | null | null | null | CO_2000552872031846695252206 | 2000552872031846695252206926558241101649032916589748886297650632251282058069884050185105317372335047010315943622376987242343147725164514069285445963204584 | 7202309957604558893481373501538707362533608190853714565185392866350692128313031476317190828979886161373608111767653708472070258818657153754907995530974848 | [
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[
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0,
3.695054
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[
3.695054,
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0
]
] | [
[
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3.695054
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[
0,
0,
0
],
[
1.847527,
1.847527,
1.847527
],
[
5.542581,
5.542581,
5.542581
]
] | [
true,
true,
true
] | Au2LaNp | Au2LaNp | A2BC | [
"Au",
"La",
"Np"
] | [
0.5,
0.25,
0.25
] | [
79,
79,
57,
93
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_193737"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9359/MD_4246587234846425085859359.json | null | {"_oqmd_entry_id": 516661, "_oqmd_stability": 0.1931038878125, "hash": "424658723484642508585935902129185945600491644970688165997550202367955521674924676723406007147328064261702220720333028744708570364463537634360003386530991", "id": "MD_4246587234846425085859359"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001399640289943430598487 | 10013996402899434305984870729549042301016055134677856004473838827314617102303913459407545738280550935203632762924761417742858967741111620801583756080277188 | 2025-04-16T22:04:30 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -1.332835 | null | null | null | null | null | CO_6638213392629550118726896 | 6638213392629550118726896898020644910771323340360881463267453320896674721234778304659684282869621759123821215411173958667699726373973774943371415626209270 | 1181608189428243958265206015579988853296738128995451791476855325786977314417284379895855008962762262280992214968268880490556946143662851477772873685393518 | [
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[
0,
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0
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[
0,
0,
6.096284
]
] | [
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[
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3.048142
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[
3.361038,
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1.993484868
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[
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4.102799132
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[
3.361038,
1.120346,
0
],
[
1.120346,
3.361038,
0
],
[
3.361038,
3.36... | [
true,
true,
true
] | La2N2O2Ta2 | LaNOTa | ABCD | [
"La",
"N",
"O",
"Ta"
] | [
0.25,
0.25,
0.25,
0.25
] | [
57,
57,
7,
7,
8,
8,
73,
73
] | 8 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_682642"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6287/MD_1441537845977296150096287.json | null | {"_oqmd_entry_id": 1057149, "_oqmd_stability": 0.9361243720637962, "hash": "1441537845977296150096287027692114183562949355806451223068724847612426110914021734954015187813932134178722865874112650242513829380479982863561848668190271", "id": "MD_1441537845977296150096287"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001314766449262872356360 | 1001314766449262872356360711561736177769790401974475639844205587416650738451236276932576586494147910866814781785872805003510811238777132240787843041125696 | 2025-04-16T16:25:26 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.679848 | null | null | null | null | null | CO_1018175876207971930672756 | 10181758762079719306727568720288974719587550256977103533824333239128670527172441532609644087355961213060293359182550132789559146662461990498370693501827193 | 5957298562024668034277469708850049019704850302395166817069831817738022798215421606140048712450168156573175936220885337713876902048411000158586269400250851 | [
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[
3.270936,
0,
3.270936
],
[
3.270936,
3.270936,
0
]
] | [
[
0,
0,
0
],
[
1.635468,
1.635468,
1.635468
],
[
4.906404,
4.906404,
4.906404
]
] | [
true,
true,
true
] | AgCaRu | AgCaRu | ABC | [
"Ag",
"Ca",
"Ru"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
47,
20,
44
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_746033"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7489/MD_6882457561807477014247489.json | null | {"_oqmd_entry_id": 936696, "_oqmd_stability": 0.9128953478319011, "hash": "6882457561807477014247489395790718767225570677577520006478270078914100969072514435275425782223899900130938052245640992665680516401268089871461126917097971", "id": "MD_6882457561807477014247489"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001335013698058986244165 | 10013350136980589862441656047364063499723032501305454211173210383973952388427544592521156565221718049302854920983849448919641008063268272519433941791115470 | 2025-04-16T21:23:51 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.389538 | null | null | null | null | null | CO_1141877972329921219976203 | 11418779723299212199762034721276890116590709707971972423753747670103772548439984350565435760048509362213892579973414980562277943302542906092030642249604175 | 7844391789630809862872707489045855505715227534858121135171130998740404599461503957502374810430887229376493455980205644566474799214339434884896698807155248 | [
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[
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0,
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[
3.528212,
3.528212,
0
]
] | [
[
1.764106,
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1.764106
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[
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5.292318
],
[
3.528212,
3.528212,
3.528212
],
[
0,
0,
0
]
] | [
true,
true,
true
] | AcHfPd2 | AcHfPd2 | A2BC | [
"Ac",
"Hf",
"Pd"
] | [
0.25,
0.25,
0.5
] | [
89,
72,
46,
46
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_155795"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4038/MD_1007637094181314279834038.json | null | {"_oqmd_entry_id": 468330, "_oqmd_stability": 0.339710235625, "hash": "1007637094181314279834038431957781774939081670412138986957348435366207706613642705024315472163955585951075934744177806015289799772269915017619389753926284", "id": "MD_1007637094181314279834038"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001346661100788641096263 | 10013466611007886410962636775184408669365930731696595800009607903157691725438100444728764379207129697824207472997243009864035604575806019926799186048096327 | 2025-04-17T18:26:41 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.826855 | null | null | null | null | null | CO_8574668728034535936543667 | 8574668728034535936543667733409103405630361059111857791825581192272012648587666936754238631645303659725213054192828925560730501184677999482775069565835970 | 13372275800449559485377279325569844042288395508100631025503112902690321964379299761082739030607488266132901318730119794051160764592068233142069084940052363 | [
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[
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[
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[
1.69612,
1.69612,
1.69612
],
[
5.08836,
5.08836,
5.08836
]
] | [
true,
true,
true
] | Be2LaNp | Be2LaNp | A2BC | [
"Be",
"La",
"Np"
] | [
0.5,
0.25,
0.25
] | [
4,
4,
57,
93
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_178499"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0220/MD_3269539207524703211780220.json | null | {"_oqmd_entry_id": 501326, "_oqmd_stability": 0.898192656285554, "hash": "3269539207524703211780220257160452031734080247238016783144099231804684811737431055510334812350468577984495705487211716295963679300893327084865761754306016", "id": "MD_3269539207524703211780220"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001341891627212681315655 | 1001341891627212681315655294085566527062988012265236046795231638327967536874094474009123704389361471883076663373913879064493523618826909624962128236562326 | 2025-04-17T17:45:49 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.823739 | null | null | null | null | null | CO_1204331024275005475541422 | 12043310242750054755414224678482229865958897361416076134641520477965046072741700007970677200330311978810011945759835201519341293088310095355248373849192438 | 5129839507707341773669854175658600292747356332253105735307718919669906292730042118832454709590462711749673750809868877472731824062165650065913157963654872 | [
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[
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0,
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[
4.403842,
4.403842,
0
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] | [
[
0,
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[
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4.403842
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[
2.201921,
2.201921,
2.201921
],
[
6.605763,
6.605763,
6.605763
]
] | [
true,
true,
true
] | Ba2NaPa | Ba2NaPa | A2BC | [
"Ba",
"Na",
"Pa"
] | [
0.5,
0.25,
0.25
] | [
56,
56,
11,
91
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_138388"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3887/MD_9238250258020600050593887.json | null | {"_oqmd_entry_id": 418978, "_oqmd_stability": 0.8627515725, "hash": "923825025802060005059388743722033513501172800998381665799538297359769214758779223568991678423362461024716286221876174512241379022345498482547886469458838", "id": "MD_9238250258020600050593887"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001389907268777543583297 | 10013899072687775435832978674617735029298508693493847878671528703201788842322907796869601543507231420143248405031836367541286005840988735901640026445471396 | 2025-04-16T18:12:40 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.236891 | null | null | null | null | null | CO_7702814066860001674843403 | 7702814066860001674843403814650342565527238867518360471104823972518428691081683040135207721329528973762401108785908557616486944815996487032133013078169765 | 5642098810753514124008527613473237158526221059340625493848198298654111505700202059187726240789959670168050841144348041016619696400665420980291847929740794 | [
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[
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[
3.336888,
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[
0,
0,
0
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[
1.668444,
1.668444,
1.668444
],
[
5.005332,
5.005332,
5.005332
]
] | [
true,
true,
true
] | CdDyGa | CdDyGa | ABC | [
"Cd",
"Dy",
"Ga"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
48,
66,
31
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_759758"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9230/MD_1251394498109982676379230.json | null | {"_oqmd_entry_id": 984827, "_oqmd_stability": 0.283593827777778, "hash": "12513944981099826763792300764702839463702587763286622863185126912380498159814750185167699729949688743378272288436534261019330493628495704363252865980484744", "id": "MD_1251394498109982676379230"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001378572784471120992372 | 10013785727844711209923727931657440794457090579944707266068689172712827900259157309256435432822340934447647252878906623798809382350102439971290507628184169 | 2025-04-16T17:54:28 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.033808 | null | null | null | null | null | CO_7790685859438010076185903 | 7790685859438010076185903963466445235305300089954820010585234793158262066381726040674951486978047570764798728255805046790467023388278822643128432281737581 | 12754293164792291650998734958722105178356404768450745502232077128611792113163377913098119565045758247103915503514319051694208097064606996027086569232100973 | [
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[
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] | [
[
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[
1.491584499462,
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[
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1.6183711525449997
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[
1.49262934,
0.8817471760139999,
1.6346525524699997
],
[
... | [
true,
true,
true
] | B4CoW | B4CoW | A4BC | [
"B",
"Co",
"W"
] | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
5,
5,
5,
5,
27,
74
] | 6 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_640489"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3437/MD_1045441083070271043703437.json | null | {"_oqmd_entry_id": 1459253, "_oqmd_stability": 0.26926929154972024, "hash": "10454410830702710437034374791994986125864343169254026526851952688647004142391418102285372674640377865881542294362550910605696164220974661531148730414264752", "id": "MD_1045441083070271043703437"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001336100494285761604454 | 10013361004942857616044549618173558830495240093094740484760517942893030478244205458429082313892659370631021380880986192802106379610472388014002643569755357 | 2025-04-16T16:32:50 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.339576 | null | null | null | null | null | CO_8439480432439548639300447 | 8439480432439548639300447080357125846518063263921837028857802488549503301656920002389627519279492634622621640772394912528338412885585547299345847686975978 | 2506219435113124561991183040155791270537178133649018953987477048398849571457092664245033346870465615087687367128304072051942638022549432986271923211559365 | [
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[
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[
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0
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] | [
[
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[
0,
0,
0
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[
4.94658,
4.94658,
4.94658
],
[
1.64886,
1.64886,
1.64886
]
] | [
true,
true,
true
] | TlV2Zr | TlV2Zr | A2BC | [
"Tl",
"V",
"Zr"
] | [
0.25,
0.5,
0.25
] | [
81,
23,
23,
40
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_490459"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3299/MD_5246959674131832360463299.json | null | {"_oqmd_entry_id": 823904, "_oqmd_stability": 0.380104085011388, "hash": "5246959674131832360463299711203946524110479240917124160549024220440046689987861483937784334519006109975083486275943995058621246804228912437934140456355195", "id": "MD_5246959674131832360463299"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001401236264268677471906 | 1001401236264268677471906958959814870762911497980101397989238641989806048545958845951359706497617922773566957340829016337607208164209160213912473596903651 | 2025-04-16T16:07:46 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.640529 | null | null | null | null | null | CO_1097727788335987539148170 | 10977277883359875391481700416647723200429553283258927085974974683640420780104459846709847392398924844795816364363226161428677840347429598797852398568424038 | 6118521452697079496980338128784599874004946483934452107107778894752004010915406740733767408278534237403169313729951844173979924583409127731103045102839250 | [
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[
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3.333075093
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[
3.333075093,
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0
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] | [
[
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[
4.9996126395000005,
4.9996126395000005,
4.9996126395000005
],
[
0,
0,
0
]
] | [
true,
true,
true
] | ScUZn | ScUZn | ABC | [
"Sc",
"U",
"Zn"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
21,
92,
30
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_580378"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4879/MD_2673748484033662991064879.json | null | {"_oqmd_entry_id": 914581, "_oqmd_stability": 0.893381666264262, "hash": "2673748484033662991064879169351751497855176707905029838110380072360587063027776131478219632885959834322358978041255144165713518240248583509489930827551673", "id": "MD_2673748484033662991064879"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001448156599898711994599 | 10014481565998987119945992719515851030451475581930586183547573514667429567072218368900451620903592389180909254613204983835736495556004687018327514440887134 | 2025-04-16T16:00:34 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -2.230138 | null | null | null | null | null | CO_7524477101391862656457201 | 7524477101391862656457201093701809650369074550627605353660405539771752204559651618155997488918019055017646949621657697712342658653556725029312562298435517 | 3176089560887802527112392887066211249027778906456982866134446609681282760997493011164607768136623809662768460655705602495653111427206155791909354821652865 | [
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0
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[
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] | [
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[
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[
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[
2.1885610225,
1.6377796722640001,
2.13661124784
],
[
2.1885... | [
true,
true,
true
] | Ac2O2P2Sc2 | AcOPSc | ABCD | [
"Ac",
"O",
"P",
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] | [
0.25,
0.25,
0.25,
0.25
] | [
89,
89,
8,
8,
15,
15,
21,
21
] | 8 | 4 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/1930/MD_9683251996484558830201930.json | null | {"_oqmd_entry_id": 1094242, "_oqmd_stability": 0.169132864266399, "hash": "9683251996484558830201930103721800935699264232877001962082848807457328180618194205340591793931590961339686821088627278937764703541268690816054508809543208", "id": "MD_9683251996484558830201930"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001495191240181037713173 | 10014951912401810377131733708652000005463372544088620210926915293399465510365139129517308202746552303530611254077161185726596953517158644151562269695774121 | 2025-04-16T17:10:51 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -1.82562 | null | null | null | null | null | CO_4496959769639425528668863 | 4496959769639425528668863265451058447082476373607659252724949404137085475212881430518394757987862735533289926125006264697420459234493157744728675172833716 | 3307080416237904398714176324206244156982487729947386282262518304462348689282472662115102087453336862527094710971839832395899435430226180054986295671326974 | [
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0
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[
0,
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0
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[
0,
0,
8.409095
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] | [
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[
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4.868866005
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[
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[
1.01246825,
1.01246825,
1.1520460150000003
],
[
3.03740475,
3.0374... | [
true,
true,
true
] | N2Nb2Nd2O2 | NNbNdO | ABCD | [
"N",
"Nb",
"Nd",
"O"
] | [
0.25,
0.25,
0.25,
0.25
] | [
7,
7,
41,
41,
60,
60,
8,
8
] | 8 | 4 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7833/MD_8730558138117834740887833.json | null | {"_oqmd_entry_id": 1057582, "_oqmd_stability": 0.361459870251842, "hash": "8730558138117834740887833003037283233428491527657955037171683006449899508936577406795336332891974908510538672601612130624969110674818934705384113371848377", "id": "MD_8730558138117834740887833"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001448894966065540382217 | 10014488949660655403822179059382734992388726340272630113035898928344788079316374274997120352297470689593911152319273560954148733380483473256607615100053526 | 2025-04-16T18:01:58 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.351801 | null | null | null | null | null | CO_4294045881602735990016616 | 4294045881602735990016616157199356686374282880621282326095644066692090989903366554624307852686700723879543089756766913728736562045717842645882579019859707 | 8465042159477731573807831445625039865083967711946183050359931643067422295892817947289415877429595269603327876318876907167492982453766415158280477750111153 | [
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[
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0
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] | [
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[
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5.428319999999999
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[
3.61888,
3.61888,
3.61888
],
[
0,
0,
0
]
] | [
true,
true,
true
] | AlCdEr2 | AlCdEr2 | A2BC | [
"Al",
"Cd",
"Er"
] | [
0.25,
0.25,
0.5
] | [
13,
48,
68,
68
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0072/MD_5663763114883696944040072.json | null | {"_oqmd_entry_id": 438864, "_oqmd_stability": 0.0166931440625, "hash": "5663763114883696944040072011011446782074228909868236726872338310159151179364478796299702474112972188991952984685594693233705972606396981563484173116874722", "id": "MD_5663763114883696944040072"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001460256536579266410443 | 10014602565365792664104431090229936361061159134882335964212782532616722451550871169428716464914551973859918384056910176128212785567213956999170350310330301 | 2025-04-16T21:23:51 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.378636 | null | null | null | null | null | CO_6491920224919529018941442 | 6491920224919529018941442798825384574945184867755919992851223233576399388200445672918016134396294309603595395301418953149134523786179639149088771844720994 | 11752661165547357513249437925294354576274911538059884324713353658426438758843639228947292141147078518123584516245960796508935493590605436707552648628003042 | [
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[
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[
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[
0,
0,
0
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[
3.92217,
3.92217,
3.92217
]
] | [
true,
true,
true
] | BaEuGa2 | BaEuGa2 | A2BC | [
"Ba",
"Eu",
"Ga"
] | [
0.25,
0.25,
0.5
] | [
56,
63,
31,
31
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_198822"
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PO_1001412414482623639653037 | 10014124144826236396530373315884592506951482989008223703915642638243014116295400150671539162075131094842342620459000097346173001222722445555292307452902187 | 2025-04-16T16:33:01 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.085081 | null | null | null | null | null | CO_6280089660556465239578647 | 6280089660556465239578647574360890670920370517459222365179896304419625077790748439783575886367611643413048682433788816290099428953632005994911419981447605 | 5723111676143368078593107037080018600992276268954783514614681391401402218197989073378393706276705635194816107925274507335603573424820291998936647916706764 | [
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[
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] | [
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[
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[
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1.452918
],
[
4.358753999999999,
4.358753999999999,
4.358753999999999
]
] | [
true,
true,
true
] | Co2LiTa | Co2LiTa | A2BC | [
"Co",
"Li",
"Ta"
] | [
0.5,
0.25,
0.25
] | [
27,
27,
3,
73
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_135088"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7894/MD_1253430054599285649917894.json | null | {"_oqmd_entry_id": 412609, "_oqmd_stability": 0.102348064781202, "hash": "12534300545992856499178942933966274356006837180156000628078034182326203301826299965711483409713934428490453789070268947765756004408407013353909622836748468", "id": "MD_1253430054599285649917894"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001426869646077857741126 | 10014268696460778577411267037975026428203564839225051461372437249718544054269674162504492527045053372103714268222324457513002030811352074006271458251047831 | 2025-04-16T18:13:42 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.319852 | null | null | null | null | null | CO_1269031736611809671070257 | 12690317366118096710702570451432470533329756957325631567726857112093612748347237533777761579602361375378326460614666724985651914979215040036405160500195266 | 10065106665160432109191568216184062231184641006787825748794129501442874367795584042495477456992449613741525326133961504940627991454031439806450428554093251 | [
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[
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] | [
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[
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0,
0
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[
1.7152275,
1.7152275,
1.7152275
],
[
3.430455,
3.430455,
3.430455
]
] | [
true,
true,
true
] | AuLiLuTl | AuLiLuTl | ABCD | [
"Au",
"Li",
"Lu",
"Tl"
] | [
0.25,
0.25,
0.25,
0.25
] | [
79,
3,
71,
81
] | 4 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_444328"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7701/MD_5379262464804721163567701.json | null | {"_oqmd_entry_id": 1024696, "_oqmd_stability": 0.247797844999999, "hash": "5379262464804721163567701152284128441715281810991608243797078236407859893556701516191514932397326249136782879296920739702448408319731128928086826480421712", "id": "MD_5379262464804721163567701"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001438307789922997093380 | 10014383077899229970933804935517197091133129014442952554444156310584989257174091198163493105405953227017529632865519073772446162513500550846919729587017903 | 2025-04-16T18:59:47 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -1.239463 | null | null | null | null | null | CO_8430228471116837236143841 | 8430228471116837236143841916073568842604651313485486982989184796109146373035950908269856474530704181098229678457521148538984518388605413427727824715988971 | 6530495871796413139608937087833715995283572894662648718123160547460753302848223091337742934221795167221525928944533986955953020558198276264602328508909616 | [
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[
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0
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[
0,
0,
12.21393379
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] | [
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[
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[
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[
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0.654666851144
],
[
2.386253096,
-1.124... | [
true,
true,
true
] | Pr2Rb2Te6Tm2 | PrRbTe3Tm | A3BCD | [
"Pr",
"Rb",
"Te",
"Tm"
] | [
0.16666666666666666,
0.16666666666666666,
0.5,
0.16666666666666666
] | [
59,
59,
37,
37,
52,
52,
52,
52,
52,
52,
69,
69
] | 12 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_523696"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0461/MD_9793524697664151004220461.json | null | {"_oqmd_entry_id": 1307783, "_oqmd_stability": 0.0, "hash": "9793524697664151004220461455309948366260239401441782528386134069575620496107929405192561657983357422137927127656849926605404240804940004470541605836048104", "id": "MD_9793524697664151004220461"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001473677088903807273082 | 1001473677088903807273082699043527378456442437764368337527676471520489935403652783802614800435129609635995131478142512517014335195728076625207909286451772 | 2025-04-16T17:10:51 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.376582 | null | null | null | null | null | CO_9713862514822729358437080 | 9713862514822729358437080226302074820807023501924405787396720885172582523395296510233871831498951717979533381490846046686282042367819078554201948441551477 | 5408465805491006804820273085298873597412511567164357481775945929172479354699194972991324495603782449231479257293100985961187450548165043527295362980419373 | [
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[
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] | [
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[
0,
0,
0
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[
3.11502,
3.11502,
3.11502
],
[
4.67253,
4.67253,
4.67253
]
] | [
true,
true,
true
] | OsRe2W | OsRe2W | A2BC | [
"Os",
"Re",
"W"
] | [
0.25,
0.5,
0.25
] | [
76,
75,
75,
74
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_218235"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4614/MD_7653962921631107411414614.json | null | {"_oqmd_entry_id": 541666, "_oqmd_stability": 0.426345208750002, "hash": "7653962921631107411414614634681114942346399255269371905469743580633267675745234992817463815311083436873890628951742611220125248478768672957950564063707665", "id": "MD_7653962921631107411414614"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001480820036136088088474 | 10014808200361360880884744458068275794896123144645544371535594297705505783308238401174450994542210040240201277963800424580158355225435767913022864046389728 | 2025-04-16T18:14:52 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.283126 | null | null | null | null | null | CO_2720718209666629918457809 | 2720718209666629918457809825258567089739391953709840490821810055715919774063888698257972601834487958336594990655956675992996917773004996698286258063197839 | 4362611296374610152730408257574855145664445878470823356220926451172193284573652678275541997914221994396562635893831583452607911919482964107696867532566304 | [
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[
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0,
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[
3.232585,
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] | [
[
0,
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0
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[
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1.6162925
],
[
4.8488774999999995,
4.8488774999999995,
4.8488774999999995
]
] | [
true,
true,
true
] | AgCdHf | AgCdHf | ABC | [
"Ag",
"Cd",
"Hf"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
47,
48,
72
] | 3 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/1742/MD_9457177846980545641111742.json | null | {"_oqmd_entry_id": 936795, "_oqmd_stability": 0.376735439166893, "hash": "9457177846980545641111742448160948452672621972698812656532887158456224378289835188041666379104177506907573910600737582423159779783984363841446649717096193", "id": "MD_9457177846980545641111742"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001409066780664379819528 | 10014090667806643798195288132843737327486264342933631199399626484896775058770015054347839702802346413684498983926337395895892558831604705661626111193688970 | 2025-04-17T17:56:16 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.035362 | null | null | null | null | null | CO_1049346610760981991146956 | 10493466107609819911469569415215016979888685473584995468805224044951565574469889929871691284161858005040716923754351642609364755690810034097556300520818555 | 7425362202502297323236925958065677142644377924916813226075398689717262098437831785163801364403664881754695147031121208057530870574308573540071210840372784 | [
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[
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] | [
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[
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[
0,
0,
0
],
[
1.5731185,
1.5731185,
1.5731185
]
] | [
true,
true,
true
] | AuCrZn2 | AuCrZn2 | A2BC | [
"Au",
"Cr",
"Zn"
] | [
0.25,
0.25,
0.5
] | [
79,
24,
30,
30
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6188/MD_1084483691337131133296188.json | null | {"_oqmd_entry_id": 783717, "_oqmd_stability": 0.1745499375, "hash": "1084483691337131133296188346021779429215702008043880690380527581229049716176731637559710990085821036317368412079791940552775417630881962775701718880145489", "id": "MD_1084483691337131133296188"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001419602266451892354195 | 10014196022664518923541955713287368129918131447845150363014252625673453672362939958760746922666379086415612444955286673267596610035633068982519708590714284 | 2025-04-16T20:34:49 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.605193 | null | null | null | null | null | CO_4502472337391423628172129 | 4502472337391423628172129723303223408584819508246387372909041577687464484677219032151678707921652355580583300857024862994335841846291000856752916319893156 | 11829737193108934803274230328747129414914047737387155095947413795831840209366367881570015227672536552902137465584508719516949823112737185306474345493935419 | [
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[
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[
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] | [
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[
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[
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0,
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],
[
3.5525145,
1.9777035,
1.9777035
... | [
true,
true,
true
] | In2O5Pt2 | In2O5Pt2 | A5B2C2 | [
"In",
"O",
"Pt"
] | [
0.2222222222222222,
0.5555555555555556,
0.2222222222222222
] | [
49,
49,
8,
8,
8,
8,
8,
78,
78
] | 9 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2323/MD_8586912821580147214662323.json | null | {"_oqmd_entry_id": 357528, "_oqmd_stability": 0.6823812757530521, "hash": "8586912821580147214662323710258505085264035862553644931705179733109198067547632801469809633596623461872727494466653715930694376741950902450713330743303504", "id": "MD_8586912821580147214662323"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001471807280742064423899 | 10014718072807420644238996419747032664958743404634947416914654996629518845082809587876773216407667853966855057528506473072693003919235241970931515268690832 | 2025-04-16T21:52:07 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.688148 | null | null | null | null | null | CO_1166548260661581379620269 | 11665482606615813796202696461608030452075772157902885230076561524923349173263296023362556141208897956756448612283776492581261345824967463267480071616282842 | 11465857987223787070374241843973179914448688213032189304165667726609494124231558659209580257541023686561999200101512665153773666233423503501151295133046310 | [
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[
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[
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0
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] | [
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[
6.2412675,
6.2412675,
6.2412675
],
[
0,
0,
0
]
] | [
true,
true,
true
] | BaLuYb | BaLuYb | ABC | [
"Ba",
"Lu",
"Yb"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
56,
71,
70
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_446309"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7360/MD_4805256673158655442177360.json | null | {"_oqmd_entry_id": 829111, "_oqmd_stability": 0.688148471666667, "hash": "480525667315865544217736029352975699853841527179267874583961164481645514531080492666539040434123423215214869300261070523970894898537371399530104006433322", "id": "MD_4805256673158655442177360"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001492351137761669816205 | 10014923511377616698162051597287532960955369477693727763850370092254651193475185909883990543270874266606901735553229958670360144569252357452265977642385257 | 2025-04-16T20:43:06 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 1.501052 | null | null | null | null | null | CO_5197814580697647120090392 | 5197814580697647120090392894572689860300952011800045170433304552302948961568020674482991462813257230257660875465231085427340561636440975005460556252047822 | 12882932374914025133803006205499649066720184826397917706451022559744960479059360677485863543895348945548308044286695348382792088649216066187072802779590095 | [
[
0,
3.16231893,
3.16231893
],
[
3.16231893,
0,
3.16231893
],
[
3.16231893,
3.16231893,
0
]
] | [
[
1.581159465,
1.581159465,
1.581159465
],
[
4.743478395,
4.743478395,
4.743478395
],
[
0,
0,
0
]
] | [
true,
true,
true
] | FeMgU | FeMgU | ABC | [
"Fe",
"Mg",
"U"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
26,
12,
92
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_538918"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4870/MD_8163029580655560272764870.json | null | {"_oqmd_entry_id": 875178, "_oqmd_stability": 1.5870375357077, "hash": "8163029580655560272764870154361114794496330602320732091763629549407841546723583923286397462127367808560763536359497487090146593603340298448785518741151", "id": "MD_8163029580655560272764870"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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