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
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61
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[
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] | [
true,
true,
true
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0.25,
0.5,
0.25
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76,
82,
82,
65
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0
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PO_1001803555733333144616899 | 10018035557333331446168995707878935802108153142707973568117200100298308944571782656983626924349890965385662311705053892762308124739651781299445977536860584 | 2025-04-16T19:57:28 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.210781 | null | null | null | null | null | CO_5833580810469800647754166 | 5833580810469800647754166752524636918055772408170175398456285073021849120470652918869017715712148665601928030061553348979871423626146838334048591000076699 | 4116535174374966258946838512181102205225654273352608880288768371138345964008060199936640178711431301597496926794278953618773703205674328535366936394695397 | [
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[
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] | [
true,
true,
true
] | CoInTm2 | CoInTm2 | A2BC | [
"Co",
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"Tm"
] | [
0.25,
0.25,
0.5
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27,
49,
69,
69
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0,
0
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PO_1001859437175486632432394 | 10018594371754866324323949092738025445583327029500219429370431954107834599135028068356554838304183939958917707756338359837470769193941170847530501307618221 | 2025-04-16T20:25:58 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.313978 | null | null | null | null | null | CO_2951613495233800946284970 | 295161349523380094628497084521849194025743223171272856564266590642208253335295216976378328783315500911007315032765265652315005098147016496264958539288764 | 11255401323339944143042614259064820676184639756308998023258156148653639776301049859080007825128976854658138077038766591732460053447464930428445509019824996 | [
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[
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4.485099
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] | [
true,
true,
true
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"Mg",
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0.5,
0.25,
0.25
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4,
4,
12,
73
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0,
0,
0
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[
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true,
true,
true
] | Ga4Ho4Ru4 | GaHoRu | ABC | [
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31,
31,
31,
67,
67,
67,
67,
44,
44,
44,
44
] | 12 | 3 | 0 | [
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0,
0
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[
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[
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0.182883... | [
true,
true,
true
] | N2O2Pr2Tm2 | NOPrTm | ABCD | [
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"O",
"Pr",
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0.25,
0.25,
0.25,
0.25
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7,
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59,
59,
69,
69
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[
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] | [
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true,
true
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"Y"
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0.25,
0.5
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59,
45,
39,
39
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[
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true,
true
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48,
24,
44
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0
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/1002/MD_4188825172517107531411002.json | null | {"_oqmd_entry_id": 985148, "_oqmd_stability": 1.24251586333333, "hash": "4188825172517107531411002070967346912013701046561031603530992776435348790500104490650368139241623318527257335930828257136484010764216095722188847125033370", "id": "MD_4188825172517107531411002"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001893539698261609620218 | 1001893539698261609620218626396048101592064235985872010259136604267123277922465023264331632879851637208789438555210601097052572916064019560405073032624332 | 2025-04-16T21:17:22 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0.368 | unknown | -2.362528 | null | null | null | null | null | CO_4652157835726151630646626 | 4652157835726151630646626495450189483322074121171843805569649137608721436514481077953149403589689501304928745441263024843335760276308346019892816798636439 | 4894506371202337967192746627054248249999897227846346172556927464643733034437990843829173416141037173703043641838882775057686338917020458985277768650933189 | [
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[
2.286049075024,
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2.7941457225599993
... | [
true,
true,
true
] | BaCaCr4O8 | BaCaCr4O8 | A8B4CD | [
"Ba",
"Ca",
"Cr",
"O"
] | [
0.07142857142857142,
0.07142857142857142,
0.2857142857142857,
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56,
20,
24,
24,
24,
24,
8,
8,
8,
8,
8,
8,
8,
8
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0,
0,
0
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PO_1001899188066144980810987 | 10018991880661449808109874179202261847596906812346567157860965992100294995403609297440295232106978710607035456645544248946965454741590202542308088567588035 | 2025-04-16T19:05:33 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.393567 | null | null | null | null | null | CO_8200822361019797609754717 | 8200822361019797609754717693445203709963428958443528309613559234765614011465987889846028786100995704106017742543521517301854219327673879829039089035568738 | 7433245337603918717599147536848936087015856664717324010283738722272404412839093112512857965701423067404408382449009040771220985369225977473997330275146486 | [
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[
0,
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0
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[
3.417462,
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] | [
true,
true,
true
] | CdCrTlZn | CdCrTlZn | ABCD | [
"Cd",
"Cr",
"Tl",
"Zn"
] | [
0.25,
0.25,
0.25,
0.25
] | [
48,
24,
81,
30
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0,
0,
0
] | [
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PO_1001843380113187353063383 | 10018433801131873530633837746575410633612207585945659436489494450170730899898321999177080511269263631169485257431809457559289546979233669813831191799303141 | 2025-04-16T17:17:43 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -1.209533 | null | null | null | null | null | CO_3757208438715298536138081 | 3757208438715298536138081786593669541785149357137481642106465536856428296879588929057701481463796627420135661431585945745755903244181904953507313801197002 | 9249711439658782889391369445945386305060765174624189879423955425303697876955720621595226343963559219781448968308615811710029305535902023789290688370721818 | [
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[
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[
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[
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[
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5.505940897756
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[
1.7990984065,
2.1362913632900002,
1.939975102468
... | [
true,
true,
true
] | As2Hf2O2Ta2 | AsHfOTa | ABCD | [
"As",
"Hf",
"O",
"Ta"
] | [
0.25,
0.25,
0.25,
0.25
] | [
33,
33,
72,
72,
8,
8,
73,
73
] | 8 | 4 | 0 | [
0,
0,
0
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PO_1001823425753348966021080 | 10018234257533489660210809278560291376232000762708945451720629538963990447975750628487215798533087434319978734398114734223194448428050014213843679662668809 | 2025-04-16T18:23:00 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.096049 | null | null | null | null | null | CO_8489122356205878500267692 | 8489122356205878500267692392590947656321266991832594632322990370808174811811573285396164138649440522674944689359572753056305370086584734454337100142909809 | 2166145594870570388903080747985947380707207458354544275855432935004558293133122082716238829765333285934459032523126695638478094621278421156947531531603123 | [
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[
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[
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[
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[
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5.045757,
5.045757
],
[
1.681919,
1.681919,
1.681919
]
] | [
true,
true,
true
] | BiHfNaOs | BiHfNaOs | ABCD | [
"Bi",
"Hf",
"Na",
"Os"
] | [
0.25,
0.25,
0.25,
0.25
] | [
83,
72,
11,
76
] | 4 | 4 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/5366/MD_1265924114658098251865366.json | null | {"_oqmd_entry_id": 1033239, "_oqmd_stability": 0.6337490225, "hash": "12659241146580982518653664610625492539695735964294444794770937417514670723704557282572549952072839493006515265788982645121785495545757407945601588639763070", "id": "MD_1265924114658098251865366"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001800322679983762757039 | 10018003226799837627570397010992379822974387403956198804826903283991649590846188532683024690240349183322545091966369258294456996392040758457145257583765907 | 2025-04-16T16:33:14 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.824 | unknown | -2.192833 | null | null | null | null | null | CO_7348595879681156361139473 | 7348595879681156361139473231625126882766431119733212387607363038626877341552855946525746996658834594803632905037160992625337229733973579249931612700666187 | 8278045727230473107397177327251189400134659416762409652328592235275205685927509232950494033740454503789587661960740275830102063633985759224592971785321919 | [
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[
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[
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[
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[
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[
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1.4555404383155999,
4.184607930695599
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[
1.4569156654871,
-1.3595495817449... | [
true,
true,
true
] | Ag2Bi2F8 | AgBiF4 | A4BC | [
"Ag",
"Bi",
"F"
] | [
0.16666666666666666,
0.16666666666666666,
0.6666666666666666
] | [
47,
47,
83,
83,
9,
9,
9,
9,
9,
9,
9,
9
] | 12 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_599184"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/1272/MD_1857580841702481734391272.json | null | {"_oqmd_entry_id": 1384777, "_oqmd_stability": 0.018680926078336, "hash": "1857580841702481734391272556820373703373369777396097758625636453717833909941617200664901962686189235124201181873449094131601438505338852784204681372371", "id": "MD_1857580841702481734391272"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001820233207418181111420 | 10018202332074181811114203161121814076930185854333679407701160626696073761652181279297601084624514801390521827829971674322042632151695377919101249105827142 | 2025-04-16T17:25:54 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.911971 | null | null | null | null | null | CO_6659645559076245254147752 | 6659645559076245254147752149663464408164500237792819372996886574738848353975383796736581224368082249932406810676063030186198166662810683446770598986733350 | 9292296476124286002295111653538563405253518347773383190565488042847512337129196211535301326158569099543084233375453730016132345371102962225599840463970317 | [
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[
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0,
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[
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0
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] | [
[
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1.898781
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[
5.696343000000001,
5.696343000000001,
5.696343000000001
],
[
0,
0,
0
]
] | [
true,
true,
true
] | EuSmZr | EuSmZr | ABC | [
"Eu",
"Sm",
"Zr"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
63,
62,
40
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_803980"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3626/MD_2719225157099834308633626.json | null | {"_oqmd_entry_id": 988005, "_oqmd_stability": 0.911970810833334, "hash": "2719225157099834308633626649055492224419999546204224670761272581578891281776787103964863218813696729079071216981420687202212984913335976283032480804406573", "id": "MD_2719225157099834308633626"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001841875718934797342089 | 10018418757189347973420895092154392043927442943462625762279499023227696640279085933787588552515637038544922205872370267523690756151888116586893366902559405 | 2025-04-16T21:37:22 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.870073 | null | null | null | null | null | CO_5654040766634570646671632 | 5654040766634570646671632616309712117841065015098759114097439476811360312231034569074278230072233038612337393880233166626959788411021028876399817202686156 | 8821794847344518326380892263807474451944394432634659604678177870325756703335917494099888530410362460587826716444242158901672601606270294601578838371961903 | [
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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
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[
1.627226,
1.627226,
1.627226
],
[
4.881678,
4.881678,
4.881678
]
] | [
true,
true,
true
] | Ag2BIn | Ag2BIn | A2BC | [
"Ag",
"B",
"In"
] | [
0.5,
0.25,
0.25
] | [
47,
47,
5,
49
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_182157"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3723/MD_5399823443403931040023723.json | null | {"_oqmd_entry_id": 504988, "_oqmd_stability": 0.9095405989138001, "hash": "5399823443403931040023723827217899159081277412650669621385122494638744613766341240785958037261449269246218333012706105126975903959263565511054457299294523", "id": "MD_5399823443403931040023723"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001817429033350077592369 | 10018174290333500775923695909209751479155697823755633018848789155578234173527073149775619994660387744301840848442893979853053059438214450486266581473654563 | 2025-04-16T15:42:56 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.928692 | null | null | null | null | null | CO_1801009316477769468366265 | 180100931647776946836626573289902073164383202365077470604446431520961935712030018952302529155385557148075236805024154343025264621528238086976259065124940 | 4666811883484089061891240043971813032120888143947577413822302044638466754552018487826735874468902685240711136294781964716480496094984784510078303373354291 | [
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[
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[
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] | [
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[
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[
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1.697245
],
[
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5.091735,
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]
] | [
true,
true,
true
] | Ge2KW | Ge2KW | A2BC | [
"Ge",
"K",
"W"
] | [
0.5,
0.25,
0.25
] | [
32,
32,
19,
74
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2954/MD_5906109191025330698592954.json | null | {"_oqmd_entry_id": 434388, "_oqmd_stability": 0.978266549581373, "hash": "5906109191025330698592954339122420378515518462336841558155978668133929557280705715014530051546816119911171940923971358715874691193021802406486525719517776", "id": "MD_5906109191025330698592954"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001870942291992448346134 | 10018709422919924483461346335610481042918915460953115372730278932651361116885621615800930812647001316430884733101974548222356157950466941083879562392018185 | 2025-04-16T21:21:56 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.525398 | null | null | null | null | null | CO_1530014875386546250092207 | 153001487538654625009220709036504058651371342654217220207979653629200089110681183777153572441155915748791575070795594730241855177186544886531967105987949 | 3050466228073064865522206000856147619236273545980686520561192730364414657275231679341217945772967309618201270774559933827947119814540024440070995363337733 | [
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[
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[
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] | [
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0
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[
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1.6689485
],
[
5.0068455,
5.0068455,
5.0068455
]
] | [
true,
true,
true
] | AgVY | AgVY | ABC | [
"Ag",
"V",
"Y"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
47,
23,
39
] | 3 | 3 | 0 | [
0,
0,
0
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/1912/MD_1397888842851655355631912.json | null | {"_oqmd_entry_id": 937915, "_oqmd_stability": 0.755165664482172, "hash": "13978888428516553556319122425682308464859789966739629294895972434644568287414972092734279240722078129215150424320451293824284782049413003370364141433905", "id": "MD_1397888842851655355631912"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001817682298637059809877 | 10018176822986370598098778544630998228761095892756322906693044016445356119558743843819652912532389862133945972710766879643902682216251988045012292732864367 | 2025-04-16T20:47:06 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.637698 | null | null | null | null | null | CO_8407587520196750522844404 | 8407587520196750522844404944045522344548473177638982049760664800857466408365045770205035731521455320327090509548747883020625045500801545054260595051764015 | 322650695397578834030585028844868407057765156424688935064402549961692439127630510266132630918596044533673168475611262459787127723983523042996191493586645 | [
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[
2.114959,
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1.90424075
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true,
true,
true
] | In4Pt2Sc2 | In2PtSc | A2BC | [
"In",
"Pt",
"Sc"
] | [
0.5,
0.25,
0.25
] | [
49,
49,
49,
49,
78,
78,
21,
21
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0,
0,
0
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PO_1001826824652688377649632 | 10018268246526883776496322694795834063210093083773137179251676907980407787564038259281029075403729016353753174611806308440110423439049756471888258597426166 | 2025-04-16T20:56:38 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.373509 | null | null | null | null | null | CO_1219815558062711705572212 | 12198155580627117055722122870538873817625158714523105587362823254989460951754317967359014619532813140183087905509198525014797480832455024539971795237471361 | 13219321718733194454693213549089350845062892676531075378665479233832974580510777805909111412604574232838676041334280284598349489870991057405251655810942637 | [
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[
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4.286699240594,... | [
true,
true,
true
] | Ag2In4Sr2 | AgIn2Sr | A2BC | [
"Ag",
"In",
"Sr"
] | [
0.25,
0.5,
0.25
] | [
47,
47,
49,
49,
49,
49,
38,
38
] | 8 | 3 | 0 | [
0,
0,
0
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PO_1001834881410817867093087 | 10018348814108178670930876929136519931345778409265002255311359561100231069541783226637938320068818852446064273299638527708120528659698805745039032984091921 | 2025-04-17T18:26:41 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.127309 | null | null | null | null | null | CO_1321776160721886247727849 | 13217761607218862477278498839081400699177529169673578634916429935100013190596283894970884639217481357493147425009187976497037278821251822999913786019267775 | 7842679483663857197484439474886913641623722467467072120002266409002432294293104853268187440540742637992115990874224154986987775864903534789851369192980248 | [
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[
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[
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[
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1.795923... | [
true,
true,
true
] | Rb2Sr6 | RbSr3 | A3B | [
"Rb",
"Sr"
] | [
0.25,
0.75
] | [
37,
37,
38,
38,
38,
38,
38,
38
] | 8 | 2 | 0 | [
0,
0,
0
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PO_1001855742568299144831358 | 10018557425682991448313581043062700157213284604670233801671112933023815882021414590738809439796773312364583089984291876727860366746634607846539077638250532 | 2025-04-16T21:13:01 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.025147 | null | null | null | null | null | CO_2356871698924367777997612 | 2356871698924367777997612992300874064626761896818157168403441638359098154878737854698117031049233897850170206171261052330864070540263916102596169498893573 | 9651808714763296839099136461297065538917763196526776268920744551895408792452537183896785056467054110166897517179691619647869289135184370351506391032489674 | [
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[
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[
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[
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3.50786
],
[
5.2617899999999995,
5.2617899999999995,
5.2617899999999995
]
] | [
true,
true,
true
] | LaOs2Pa | LaOs2Pa | A2BC | [
"La",
"Os",
"Pa"
] | [
0.25,
0.5,
0.25
] | [
57,
76,
76,
91
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_111999"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/8474/MD_8861790725793402439638474.json | null | {"_oqmd_entry_id": 370011, "_oqmd_stability": 0.19344564625, "hash": "8861790725793402439638474455244015938183666946751368173860110760628456601161650149604644113032477946959630222686224917087083834441257755258453725371129317", "id": "MD_8861790725793402439638474"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001836279045862657062214 | 10018362790458626570622149042978636037679767967771047149090700467877841379143174366789890365273372792216039982413882691996344772488009645070040895844524021 | 2025-04-16T17:45:47 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.048808 | null | null | null | null | null | CO_4171179730485028727058709 | 4171179730485028727058709823229354639156855727894251028390852310886982511358970130338047337682334161021643568982482771529851827228435916535301890771767556 | 7345082517784886373524990025722010091914222672638393103107908817412742087783459984588685816854073052853144537674274975220619089383205594620858356324222280 | [
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[
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[
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[
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[
1.5637005,
1.5637005,
1.5637005
],
[
0,
0,
0
]
] | [
true,
true,
true
] | CoCrSnTi | CoCrSnTi | ABCD | [
"Co",
"Cr",
"Sn",
"Ti"
] | [
0.25,
0.25,
0.25,
0.25
] | [
27,
24,
50,
22
] | 4 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_308086"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9358/MD_5878637905196664097929358.json | null | {"_oqmd_entry_id": 719303, "_oqmd_stability": 0.383158483437849, "hash": "5878637905196664097929358644317100331446334018711133632358773192802855170588631678488563731299581261804091810857170763197955363185018500919259733792530050", "id": "MD_5878637905196664097929358"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001801663437890833808384 | 1001801663437890833808384567121082781571915356057189492753366166468614775374922012761505201862278705307467559130880319594531426630130615250657695170941131 | 2025-04-16T20:09:34 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.380058 | null | null | null | null | null | CO_2617209033626575786725838 | 2617209033626575786725838586347764558362257994219575999906960419481353693407003617345501124456716199242336584168463470620073325706879285590532722858314549 | 378095906078742537511396130702077266131571465954417579960803712740835349041318158032352769596503641049414386498323551760723917056159646383617458854076732 | [
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[
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] | [
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[
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[
0,
0,
0
],
[
3.903858,
3.903858,
3.903858
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] | [
true,
true,
true
] | ErKSb2 | ErKSb2 | A2BC | [
"Er",
"K",
"Sb"
] | [
0.25,
0.25,
0.5
] | [
68,
19,
51,
51
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4633/MD_2308679231008997590524633.json | null | {"_oqmd_entry_id": 486245, "_oqmd_stability": 0.38962424625, "hash": "2308679231008997590524633078087663884433405677025129449927380893747920313200234504864177786240885500897936114449178104893193993135633066136472781301482111", "id": "MD_2308679231008997590524633"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001885370886480928197486 | 10018853708864809281974860429316996510876657415272035571765865252272453704435742670179817003332938360631045846291917616865419916406852568240604897752333459 | 2025-04-16T15:45:01 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.098698 | null | null | null | null | null | CO_7199618778610387684114952 | 7199618778610387684114952548735515625737021034998588507769154251212419667438973861132411433218456062280890542541766950600669293387677413717784168751295176 | 11354578799914749397486293521764324657696270190723680629199634901036949206269985770803544381509078630804169443881836658292286695424297298222623043819463899 | [
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[
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[
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[
0,
0,
0
],
[
4.537857,
4.537857,
4.537857
]
] | [
true,
true,
true
] | CoGaIr2 | CoGaIr2 | A2BC | [
"Co",
"Ga",
"Ir"
] | [
0.25,
0.25,
0.5
] | [
27,
31,
77,
77
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2449/MD_1334451524773168156462449.json | null | {"_oqmd_entry_id": 742406, "_oqmd_stability": 0.2932256425, "hash": "13344515247731681564624496920842110532900952574545869808232874728740565615418288263446363482413894106751177519119919307872329070727010006898657614963319020", "id": "MD_1334451524773168156462449"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001884790599973275611264 | 10018847905999732756112647072988269479111177612553354998473491783377758733892180430169026015991549467726242658548021866198027350518940990932927347852396269 | 2025-04-16T15:45:17 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 1.022297 | null | null | null | null | null | CO_1077228126297585907102668 | 10772281262975859071026687912411245020789882891646777968668471942169889448513863629361720959497577689924429647811479114431110239568094423356509036494838122 | 7237120594794014397489463082234627314251553943280343572139611768519179226664321213270739320104005730273723494025637801865184974595693710373200060312774792 | [
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[
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] | [
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[
0,
0,
0
],
[
2.118458,
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2.118458
]
] | [
true,
true,
true
] | CaErK | CaErK | ABC | [
"Ca",
"Er",
"K"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
20,
68,
19
] | 3 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0850/MD_1668876734998307660780850.json | null | {"_oqmd_entry_id": 900633, "_oqmd_stability": 1.022297495, "hash": "1668876734998307660780850180810743468589798251810415645624508993214921100735499054104225045586575250956202348329468047605302054515681241064368245141442166", "id": "MD_1668876734998307660780850"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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[
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[
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[
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]
] | [
true,
true,
true
] | HfMn2Pm | HfMn2Pm | A2BC | [
"Hf",
"Mn",
"Pm"
] | [
0.25,
0.5,
0.25
] | [
72,
25,
25,
61
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6547/MD_1242206354761471984126547.json | null | {"_oqmd_entry_id": 474088, "_oqmd_stability": 0.464464357500001, "hash": "12422063547614719841265475972079191209764432835351216914575718396633966480415276001312747786989121227559037495181848091608909975945345097101476189380559960", "id": "MD_1242206354761471984126547"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001804197963126729133955 | 10018041979631267291339556678973212030600334294968876212018637759634972282386454677047462904157802648811601722554558112634857626931119274848809469262651006 | 2025-04-16T18:30:46 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.474874 | null | null | null | null | null | CO_5489423539333967301048412 | 5489423539333967301048412987996353690851855638296386868369336921808937182507538240934913186781785828749357351738882450718924313867064415743240922535015012 | 10143165717559709163041184321802711445037921135483305805024857832572607119086467269047248720261264205465528041581796821010357781929130148071308424591770572 | [
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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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1.5111401275940002
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[
-1.4178952619239997,
-1.6660499907450443e-... | [
true,
true,
true
] | CFe2Ge2Yb2 | CFe2Ge2Yb2 | A2B2C2D | [
"C",
"Fe",
"Ge",
"Yb"
] | [
0.14285714285714285,
0.2857142857142857,
0.2857142857142857,
0.2857142857142857
] | [
6,
26,
26,
32,
32,
70,
70
] | 7 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_581419"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2309/MD_3628757531724041620542309.json | null | {"_oqmd_entry_id": 1371662, "_oqmd_stability": 0.0, "hash": "3628757531724041620542309584340616310393057196090421494476943689208409879162788288694425733107575397015036147026063139595726784366893547348833904220009713", "id": "MD_3628757531724041620542309"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001843293152048571881941 | 1001843293152048571881941237152110927284581960779610499336343914939040871041464139327373470675303136117618260044840363428968081484934187640662401719222300 | 2025-04-16T18:25:21 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.139075 | null | null | null | null | null | CO_1037243697320816336215302 | 10372436973208163362153022506963577990299826603527275399937797209181416994995393137428066154364526222468253260486031223715278157282340360942418392536638227 | 4790542910859084844690920714071307566731474879185166505762838434035733667544026476489365614146891579370321579415182159854219009857131853307591216451508000 | [
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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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2.958452
],
[
4.437678,
4.437678,
4.437678
],
[
0,
0,
0
]
] | [
true,
true,
true
] | CuLi2Zn | CuLi2Zn | A2BC | [
"Cu",
"Li",
"Zn"
] | [
0.25,
0.5,
0.25
] | [
29,
3,
3,
30
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_305260"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0758/MD_3733291430031605470370758.json | null | {"_oqmd_entry_id": 716562, "_oqmd_stability": 0.00547230500000001, "hash": "3733291430031605470370758983530072665107906030537097775899650245270511252267281535834277799880393358668692565797767948865217447171757871762275499630997374", "id": "MD_3733291430031605470370758"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001812259412598839055467 | 10018122594125988390554677480460959804627382282555169662395036471023364634775500246665326881913809728709080453367820197382263650980102522470443270695094558 | 2025-04-16T17:10:53 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.399453 | null | null | null | null | null | CO_9805990064712387560650837 | 9805990064712387560650837653091336871003691597240102814438103038616818257318554764130097890565701113140937920397988348819276735570529769721744273307188821 | 8376340623715460427141363689363286104882450550538069300143062890288589942987478295008460783774555274423626274587915234105636919138810053212993077275687214 | [
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[
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[
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[
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[
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3.078553
],
[
1.5392765,
1.5392765,
1.5392765
]
] | [
true,
true,
true
] | BiMnNiV | BiMnNiV | ABCD | [
"Bi",
"Mn",
"Ni",
"V"
] | [
0.25,
0.25,
0.25,
0.25
] | [
83,
25,
28,
23
] | 4 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_291700"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2561/MD_1020007551435109509282561.json | null | {"_oqmd_entry_id": 702921, "_oqmd_stability": 0.581290357477166, "hash": "10200075514351095092825614148278122485410549444074880498341349245821766457325302178872955599218849356710285784285351838464008253957714873474542048843308163", "id": "MD_1020007551435109509282561"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001807907735744256324699 | 10018079077357442563246994623608996892318542789772966058757798905615719483860588997652177770754919209788370663113910289376691799331076905274151836088641606 | 2025-04-16T20:34:36 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.873959 | null | null | null | null | null | CO_9195100178915832844976560 | 9195100178915832844976560807949374643490717830952890923565239864057613187628273313665919404508235957080431489596146545119062130209726998441006382941611162 | 7128142056202765929790368823264176315287291478867521678739674126304876529459348951900306757666630692921539667775699787536231429011617223190411193126398030 | [
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[
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0
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[
0,
0,
3.532848
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] | [
[
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1.044820467,
2.649636
],
[
-0.0018121589999999929,
2.092778533,
0.883212
]
] | [
true,
true,
true
] | AsHf | AsHf | AB | [
"As",
"Hf"
] | [
0.5,
0.5
] | [
33,
72
] | 2 | 2 | 0 | [
0,
0,
0
] | [
"all_oqmd_756197"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6069/MD_8068716735970175824356069.json | null | {"_oqmd_entry_id": 1228071, "_oqmd_stability": 0.13272589625000009, "hash": "8068716735970175824356069087039267945346272050469233841517437991658191668336765958715072808903111169540163821591826185023636709734428340400783973791972683", "id": "MD_8068716735970175824356069"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001879572385690838867169 | 10018795723856908388671690065226721336285488189994584510105783847089848629281107536548385477966535858999670504216656758379461810782013342155335469870346175 | 2025-04-16T20:33:11 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.761283 | null | null | null | null | null | CO_1902608135699348442242711 | 1902608135699348442242711977647647786784234700817156804841397139911381524271029360017603626703296147981097471312188386183140518994164239963812615800437575 | 6611396387848935691421508808140265895683888570681168711128587234846615405260900065288211178334456187246256982565723837179440264955785521898645284760460761 | [
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[
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1.315143,
3.719785
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[
0,
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] | [
[
0,
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2.78983875
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[
0,
4.999999998478444e-7,
5.5796775
],
[
0,
0,
0
]
] | [
true,
true,
true
] | CuLaS | CuLaS | ABC | [
"Cu",
"La",
"S"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
29,
57,
16
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_817359"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2302/MD_1898564273071299177152302.json | null | {"_oqmd_entry_id": 1284543, "_oqmd_stability": 0.7787382577001067, "hash": "1898564273071299177152302582599279040642364332871337938879287871063839353151665938111777184930882865970289472581323537768064891685284639684254388353880854", "id": "MD_1898564273071299177152302"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001868942363927423275934 | 10018689423639274232759343315426232384425140113448183849783228994619838479858646242508770225622543223429151855125126981371326806333458262681979358100011128 | 2025-04-16T20:37:32 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.447459 | null | null | null | null | null | CO_8595385132098903660837731 | 8595385132098903660837731497706888531570287164288679946096357643042208205350531957735252019388899371919567988509162512397180195199847295073971240157830294 | 10344982583588561993947678773591483982210212724862547172523531095400159505468044576572078039028347165443764152091218282626100134251385191657691530434297466 | [
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[
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0,
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[
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0
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] | [
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[
0,
0,
0
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[
1.633022,
1.633022,
1.633022
],
[
4.8990659999999995,
4.8990659999999995,
4.8990659999999995
]
] | [
true,
true,
true
] | Cu2KPt | Cu2KPt | A2BC | [
"Cu",
"K",
"Pt"
] | [
0.5,
0.25,
0.25
] | [
29,
29,
19,
78
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_36369"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7839/MD_7102875738390900758687839.json | null | {"_oqmd_entry_id": 404261, "_oqmd_stability": 0.566062333594986, "hash": "7102875738390900758687839733254073030119947381041753622268202366000722906482994191448572064952204038260622368748659321163743950683882581188194125145817178", "id": "MD_7102875738390900758687839"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001856573778668720704802 | 10018565737786687207048029056330314121866668052244605807510716065241699604240416034076233417163041105436573441712547453610597277678480676754067211622412510 | 2025-04-16T18:24:30 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.213 | unknown | -2.684897 | null | null | null | null | null | CO_9785367614396187597218465 | 9785367614396187597218465041774902027827705180541876890973321336016514581142606024477851907280716110490282595156575507677249685152308275807133566648439841 | 6711092899852888815658936873527000523400219579881333465730744687377065756465772929796674040350116312730885294165974235983279020767655522093771485335854755 | [
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[
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0
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[
0,
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] | [
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[
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3.16931475
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[
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[
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3.16931475
],
[
3.36221586,
7.806299760000001,
1.05643825
],
[
1.12074... | [
true,
true,
true
] | I2O2Pr2 | IOPr | ABC | [
"I",
"O",
"Pr"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
53,
53,
8,
8,
59,
59
] | 6 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0045/MD_2186268792198117314260045.json | null | {"_oqmd_entry_id": 1036483, "_oqmd_stability": 0.17652393833334, "hash": "2186268792198117314260045389740171396613604765416344288661644591189163173542145922953809927538770768197271076184739852569409465562303075680926194131683808", "id": "MD_2186268792198117314260045"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001853608733112150145737 | 10018536087331121501457374207058747512561345927427329427042412163770908764088280029541639871647024745343804627506996086987693773414692703235997419191175518 | 2025-04-16T18:27:25 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.193835 | null | null | null | null | null | CO_3322363976232961829720547 | 3322363976232961829720547980528899675537312565900585332722564570677174349294135790262740424436983996948959113481413045437829958447194298693134620501019157 | 9888075266201749696455642951905304748267944728667956553810069562329410942498441802249041035294922810751860923395998792747956174159787432742575769481845556 | [
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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
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[
3.801476,
3.801476,
3.801476
],
[
5.702214,
5.702214,
5.702214
]
] | [
true,
true,
true
] | AsPr2U | AsPr2U | A2BC | [
"As",
"Pr",
"U"
] | [
0.25,
0.5,
0.25
] | [
33,
59,
59,
92
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/8467/MD_3545932476865001694188467.json | null | {"_oqmd_entry_id": 390160, "_oqmd_stability": 0.944906196875001, "hash": "3545932476865001694188467213534812416329062248245560652819441264979322823211862905203984048908912970983274506652822698476437085173051049895029784192391300", "id": "MD_3545932476865001694188467"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001800184278309175619554 | 10018001842783091756195541457377950356741013756523884296862887319826664035697020650929443959026123558022719599447416371862165188127955373351848032372246 | 2025-04-16T18:33:43 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.068717 | null | null | null | null | null | CO_2771826925839882337097398 | 2771826925839882337097398926100787096528139258960939402154420778492884636417573775501457771045910618362391056578493339742987680774957449784648522921296139 | 4438801528384516785871661427502590103723627276085731200028223870101620272446704256536729995183224983485617235578885791928801805269552200557153375139448907 | [
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[
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0,
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[
3.082508,
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0
]
] | [
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0,
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0
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[
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[
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4.623761999999999
],
[
1.541254,
1.541254,
1.541254
]
] | [
true,
true,
true
] | AsCoFeHf | AsCoFeHf | ABCD | [
"As",
"Co",
"Fe",
"Hf"
] | [
0.25,
0.25,
0.25,
0.25
] | [
33,
27,
26,
72
] | 4 | 4 | 0 | [
0,
0,
0
] | [
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PO_1001863772718805534691091 | 10018637727188055346910912670806363341981305216256602640444222421337664004801796963697499053658947845438026672933937944883880288503381152863156828311666735 | 2025-04-16T15:43:58 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 1.879058 | null | null | null | null | null | CO_5069124339644471495745755 | 5069124339644471495745755750437005286518615148661857699071206642208647771488662527903078063811355008193998454811555260607833019067151146129587477551992471 | 8342217799775953620323931682659415003339624771967771563964372539263736237482065583620133101991144829824298461733978315771331795826731482317093943033178655 | [
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[
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true,
true,
true
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0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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37,
21,
40
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0
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PO_1001873171140685522229404 | 1001873171140685522229404213730398611777551235782747475238922842403115464088183144463222845310740906679299230565840789863036445180707096068886790101099053 | 2025-04-16T18:57:04 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.400958 | null | null | null | null | null | CO_9966671631190647178551193 | 9966671631190647178551193635445391795604798348851725071234832546462722823897309172738089303452644407980035514639026604035939583909791813811531114593208110 | 9448926309522726876433142294419252679555666811753754496911110784497531732502016242544897038055971446741184013794646774941660006440722920163869471428403025 | [
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[
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[... | [
true,
true,
true
] | Au2B2N2O2 | AuBNO | ABCD | [
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"B",
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0.25,
0.25,
0.25,
0.25
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79,
79,
5,
5,
7,
7,
8,
8
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0,
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0
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PO_1001803578421506190382129 | 1001803578421506190382129950927664623771961084757666117827852293842589853251528438379713990756049119295150251139658836448790343605217976036019804163338950 | 2025-04-16T20:58:52 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.421044 | null | null | null | null | null | CO_8016885959579389073248886 | 8016885959579389073248886952455389863753357872576706687185656390081140197972254486067772998158950058480019699248495647258010043717497785927787433010264770 | 10304909833544632174960452377269254671284113986683193226474478166925992231431372901457681495303332305343799193143217325567133432827879121612681480158387906 | [
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[
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[
5.2616775,
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] | [
true,
true,
true
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"Nb",
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0.25,
0.5,
0.25
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41,
93,
93,
91
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0
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PO_1001885945677413025768413 | 10018859456774130257684138877382394924654886829425059587669648107595029349804048413258003907939260183538963772140193499793102684701995380283197122795038109 | 2025-04-16T15:42:57 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.374846 | null | null | null | null | null | CO_2193748950754791771303470 | 219374895075479177130347017697205644901753539963029383456650282779842215335772000696911949168428372375111080640719695348751697689386658105646370055373643 | 6241919809879892183748895681507429901051582438516181548196005074124841279405831176742306641570366389871444413558132166878563463737598401157893740833748613 | [
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[
0,
0,
0
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[
4.0197285,
4.0197285,
4.0197285
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] | [
true,
true,
true
] | BBeLiZn | BBeLiZn | ABCD | [
"B",
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"Li",
"Zn"
] | [
0.25,
0.25,
0.25,
0.25
] | [
5,
4,
3,
30
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0,
0,
0
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PO_1001812799339730129830698 | 10018127993397301298306981790388405713094137720657221450351200774760073686094962487597386093160161640186644274444408843831819266180967100222118687952821565 | 2025-04-16T20:25:58 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.088946 | null | null | null | null | null | CO_2599999611800744412339942 | 2599999611800744412339942942806831328949402510665917130710843278538740538143934634836446563788632255058631688147930008256425502468039435805141015223085498 | 5199216059552941812314832170610016694806491512018564903287816016186425901941639597178199846823095546972319744549727293265972516897530670093145722514797350 | [
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[
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4.608245928
],
[
2.428235937,
2.3404786020364554e-1... | [
true,
true,
true
] | Ru8Se4Sn32 | Ru2SeSn8 | A8B2C | [
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"Sn"
] | [
0.18181818181818182,
0.09090909090909091,
0.7272727272727273
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44,
44,
44,
44,
44,
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44,
34,
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34,
34,
50,
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50,
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50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50
] | 44 | 3 | 0 | [
0,
0,
0
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[
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[
5.7111795,
5.7111795,
5.7111795
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] | [
true,
true,
true
] | Er2SmTi | Er2SmTi | A2BC | [
"Er",
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"Ti"
] | [
0.5,
0.25,
0.25
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68,
68,
62,
22
] | 4 | 3 | 0 | [
0,
0,
0
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PO_1001839220047878733326090 | 10018392200478787333260908287620611635313002529989358537569501439428360633203877251006189452824319818418941139551555618751481014658569878777867509261157859 | 2025-04-16T19:05:49 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 4.66 | unknown | -1.969356 | null | null | null | null | null | CO_3278910971952927379927091 | 3278910971952927379927091757192330252336768671555310024456483476333454309961533039776470358338912424822549832795372716308922991076920778763226554851475675 | 1878583668213817852168577637633057516560351106608611183149400738761132837999445622217068797409008881160321725907528945266947178249201012295262681955194133 | [
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[
0.929846394... | [
true,
true,
true
] | Br6K3Tb | Br6K3Tb | A6B3C | [
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] | [
0.6,
0.3,
0.1
] | [
35,
35,
35,
35,
35,
35,
19,
19,
19,
65
] | 10 | 3 | 0 | [
0,
0,
0
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[
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[
1.64271276... | [
true,
true,
true
] | Li3Mg3 | LiMg | AB | [
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0.5,
0.5
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3,
3,
3,
12,
12,
12
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0,
0,
0
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[
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[
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true,
true,
true
] | EuKSc2 | EuKSc2 | A2BC | [
"Eu",
"K",
"Sc"
] | [
0.25,
0.25,
0.5
] | [
63,
19,
21,
21
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_102805"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/8548/MD_8541639864227096821118548.json | null | {"_oqmd_entry_id": 361367, "_oqmd_stability": 0.66787677125, "hash": "8541639864227096821118548532526821024469423509689182803539078410928337524670356356610334999930847410607081497379760251576390683541509732232806510605625148", "id": "MD_8541639864227096821118548"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001811872157901034036099 | 10018118721579010340360996371747004033711850684283390529472892108813767028503673284059305241993339901289514671083753446794414423589302619237324554987625583 | 2025-04-17T18:26:41 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -1.985342 | null | null | null | null | null | CO_1080363275820952159918775 | 10803632758209521599187753478396488802214671396877170260337310569045954459390044526570703665536575107317424850621818978558581284477111827578673304449251492 | 7850143519050519729192886985534046135103258532486267271734070045664649308855439085637307310689428914209183270609579560493833582858117367385455007678453997 | [
[
5.361813,
0,
0
],
[
0,
5.584707,
0
],
[
0,
0,
7.763022
]
] | [
[
3.64603284,
1.742428584,
0.5542797708
],
[
4.396686659999999,
4.534782084000001,
0.5542797708
],
[
0.734568381,
2.367915768,
1.9407555
],
[
1.9463381189999998,
5.160269268,
1.9407555
],
[
3.64603284,
1.742428584,
3.3303364380000002
],
... | [
true,
true,
true
] | O12Sn4V4 | O3SnV | A3BC | [
"O",
"Sn",
"V"
] | [
0.6,
0.2,
0.2
] | [
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
50,
50,
50,
50,
23,
23,
23,
23
] | 20 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_264006"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3570/MD_1425437553252016426083570.json | null | {"_oqmd_entry_id": 682191, "_oqmd_stability": 0.22429707700000745, "hash": "1425437553252016426083570558376092610543683679912458662520241664797140656088596797450176020271125179301551861194972295677726177843268376401923829625969640", "id": "MD_1425437553252016426083570"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001855878247575480774417 | 10018558782475754807744175256343065243009403430986805301037107737446498866160874879166250664004596941675370145081433093834766878809524078897337108624283954 | 2025-04-17T18:16:17 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.639742 | null | null | null | null | null | CO_4661265978973544736488032 | 4661265978973544736488032420491541081985235365610533665569738074611593302296104896247495751763183653885176701054351906162676745159192530606338001641092372 | 10028591961710779711299624279084879920910552536334828291187914759006845800075207284721333627751404074960624678174016786343258287621516885847878936805543232 | [
[
4.645299992,
0,
0
],
[
0,
4.645299992,
0
],
[
0,
0,
12.105052344
]
] | [
[
0,
2.322649996,
1.549446700032
],
[
2.322649996,
0,
10.555605643968
],
[
0,
0,
0
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[
2.322649996,
2.322649996,
0
],
[
0,
0,
3.2320489758480004
],
[
2.322649996,
2.322649996,
3.2320489758480004
],
[
2.322649996,
... | [
true,
true,
true
] | B2Tl8 | BTl4 | A4B | [
"B",
"Tl"
] | [
0.2,
0.8
] | [
5,
5,
81,
81,
81,
81,
81,
81,
81,
81
] | 10 | 2 | 0 | [
0,
0,
0
] | [
"all_oqmd_640574"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0064/MD_1059643453968472008060064.json | null | {"_oqmd_entry_id": 1471799, "_oqmd_stability": 0.6397417849999997, "hash": "10596434539684720080600640955317882080816542604008890692983761908132219874597872033897319263228640683699741643345582043183294356050795844870031260663538968", "id": "MD_1059643453968472008060064"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001795471092781946846197 | 10017954710927819468461979461206630333501662312118854686942192598530300138729288567772329460127727436800621030624457714447507361400972017534931777776820425 | 2025-04-16T21:23:51 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.434695 | null | null | null | null | null | CO_1236588983239494598874339 | 12365889832394945988743392224565781414151200835207638088908409633069630842980641046249804826527012670558514433885081392905113744209185650738526076974364532 | 3193652818995479244077554838517515379810126972254823674170697419570983962844889589559112305449659113024392177715264569357004585742720983812451505663541695 | [
[
0,
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3.409449
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[
3.409449,
0,
3.409449
],
[
3.409449,
3.409449,
0
]
] | [
[
1.7047245,
1.7047245,
1.7047245
],
[
5.1141735,
5.1141735,
5.1141735
],
[
0,
0,
0
],
[
3.409449,
3.409449,
3.409449
]
] | [
true,
true,
true
] | CoTbZr2 | CoTbZr2 | A2BC | [
"Co",
"Tb",
"Zr"
] | [
0.25,
0.25,
0.5
] | [
27,
65,
40,
40
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_234573"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6044/MD_1591478260049333090866044.json | null | {"_oqmd_entry_id": 558038, "_oqmd_stability": 0.630281500083333, "hash": "1591478260049333090866044168007313594097799317931087952423651117780111883365256620180859541615059625066396917364826358404492628895991019312866838286004985", "id": "MD_1591478260049333090866044"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001772197872307728117846 | 10017721978723077281178468526376699656963331515691926169180679422405529145895627463270737976518808580405589721008649042223586322103398639358700074565164213 | 2025-04-16T17:29:43 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.215261 | null | null | null | null | null | CO_1110336802888889792715668 | 11103368028888897927156687388302814188965366070351350800951209565090660342106866871705870984478146079329876406266628879977395893585398819455461015140822338 | 7427097017080178086221361441488589040818395813182184275903805135456220233249569597437503898495568869652732149913001546406290404689403076887397249776414394 | [
[
0,
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3.446958
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[
3.446958,
0,
3.446958
],
[
3.446958,
3.446958,
0
]
] | [
[
1.723479,
1.723479,
1.723479
],
[
5.170437,
5.170437,
5.170437
],
[
0,
0,
0
],
[
3.446958,
3.446958,
3.446958
]
] | [
true,
true,
true
] | SbUZn2 | SbUZn2 | A2BC | [
"Sb",
"U",
"Zn"
] | [
0.25,
0.25,
0.5
] | [
51,
92,
30,
30
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_164898"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4950/MD_1046707745165700048374950.json | null | {"_oqmd_entry_id": 483658, "_oqmd_stability": 0.36095826921659, "hash": "10467077451657000483749505702533469284550722843943888636779481462828919418711366463605237264060271414460857285951427245450776791908258386164753942954507466", "id": "MD_1046707745165700048374950"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001733131738165020377325 | 10017331317381650203773257266225274002739223272491972777235017165546096366163472270056359415592200327571219161443193059436789562665072196533298164818538622 | 2025-04-16T20:35:09 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.086535 | null | null | null | null | null | CO_1102704636083856358860847 | 11027046360838563588608476511080015522255860095444505416644355312691520386241697437446159538995822314930280374957199778448478758955630779021053761176735550 | 12973911277780950924340785790414196764010040940227462343027943799991926588135626519437478734915328044313657490418352197107010680587378882806433002260819541 | [
[
3.759653,
0,
0
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[
0,
3.759653,
0
],
[
0,
0,
5.367282
]
] | [
[
0,
0,
0
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[
1.8798265,
1.8798265,
0
],
[
0,
1.8798265,
1.551144498
],
[
1.8798265,
0,
3.816137502
]
] | [
true,
true,
true
] | Cu2Se2 | CuSe | AB | [
"Cu",
"Se"
] | [
0.5,
0.5
] | [
29,
29,
34,
34
] | 4 | 2 | 0 | [
0,
0,
0
] | [
"all_oqmd_10463"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2338/MD_2055063986920113336272338.json | null | {"_oqmd_entry_id": 20637, "_oqmd_stability": 0.05100518750000051, "hash": "2055063986920113336272338648482817609095224664847491644902034853653340178440640619088338729026314877362725788958022135004542789922039857048918928286049735", "id": "MD_2055063986920113336272338"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001774563373204095019052 | 10017745633732040950190524944553695156255354567423243091549083891408046894164344477360721198720292295093361787266711262714024181660307086925247283777768546 | 2025-04-16T16:31:52 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.223412 | null | null | null | null | null | CO_6038565084807727617966964 | 603856508480772761796696448998654366920486383483573959127888631878676063974363496683701457412259933580359637871013200424091858676757302203809727595817353 | 6370112349643373413287756295423639856065478924160198808884612738213943159265377196731328321050783819948237546815804808321857015053778115203225563870173795 | [
[
0,
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3.190369
],
[
3.190369,
0,
3.190369
],
[
3.190369,
3.190369,
0
]
] | [
[
1.5951845,
1.5951845,
1.5951845
],
[
4.7855535,
4.7855535,
4.7855535
],
[
0,
0,
0
]
] | [
true,
true,
true
] | BePmZn | BePmZn | ABC | [
"Be",
"Pm",
"Zn"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
4,
61,
30
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_764973"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7512/MD_7804945028769644102777512.json | null | {"_oqmd_entry_id": 913516, "_oqmd_stability": 0.440813897753674, "hash": "7804945028769644102777512110516107852531547103375153478966318450051337049586061433317112013676517662879219579221865237874883013046179402438790277793663928", "id": "MD_7804945028769644102777512"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001734168806426993074712 | 10017341688064269930747128984324205434947778102336466609290873883002929105359824648365304378990104594004603552152389493172941707922228672628244881560486620 | 2025-04-16T20:41:37 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.093708 | null | null | null | null | null | CO_5191595792160303925947834 | 5191595792160303925947834576415989600400744127663693903841186988153560228908512437815174457806244448721238430285044602372204017098947442466740592871498235 | 12429140269890852870398105881845546964470658962164950962201199659830465460124439952432024493099735738254670236980882770083803178126666672664306837038134500 | [
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0,
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[
3.370003,
0,
3.370003
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[
3.370003,
3.370003,
0
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] | [
[
3.370003,
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[
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5.0550045,
5.0550045
],
[
0,
0,
0
],
[
1.6850015,
1.6850015,
1.6850015
]
] | [
true,
true,
true
] | GeMgRhTl | GeMgRhTl | ABCD | [
"Ge",
"Mg",
"Rh",
"Tl"
] | [
0.25,
0.25,
0.25,
0.25
] | [
32,
12,
45,
81
] | 4 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_422266"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/1984/MD_1107134033391243307851984.json | null | {"_oqmd_entry_id": 1004922, "_oqmd_stability": 0.46776708160658, "hash": "11071340333912433078519845301387014343213283497562865602947402837867358875737789221110443890329507288947941073394464283252368859455150930299013247205117184", "id": "MD_1107134033391243307851984"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001729689784016263423263 | 1001729689784016263423263035410865529306506261593190132673844754752544097222169475328326433646738169296855877296622436632588207817314051911688536107961999 | 2025-04-16T15:14:03 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -1.028035 | null | null | null | null | null | CO_2922587695561917423835775 | 2922587695561917423835775531811906579853426175835413263412268707301307647049384077767514443737366086315186100359688204653990340017926939979890826962802071 | 12995181101092627060253565000786168006412595706473735774765739166442777096961753149673586520614774228914771514969144144426739881496559832937692062815486438 | [
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0
],
[
3.284633,
4.673328,
0
],
[
0,
0,
6.252303
]
] | [
[
1.8929339979,
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0.5058113127
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[
4.677317392,
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0.5058113127
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[
3.2862753165,
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1.525561932
],
[
3.284633,
0.6636125759999999,
2.482164291
],
[
1.8929339979000002,
-2.1763688495999998,
3.6... | [
true,
true,
true
] | C2Al8N6O2 | Al4CN3O | A4B3CD | [
"Al",
"C",
"N",
"O"
] | [
0.4444444444444444,
0.1111111111111111,
0.3333333333333333,
0.1111111111111111
] | [
13,
13,
13,
13,
13,
13,
13,
13,
6,
6,
7,
7,
7,
7,
7,
7,
8,
8
] | 18 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_242295"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/5755/MD_1578428063173853698065755.json | null | {"_oqmd_entry_id": 25073, "_oqmd_stability": 0.597874808715604, "hash": "1578428063173853698065755860962259092109258358185871606274791869703804228916637604882488527143189121583318810349908713321238724357344767414855242142130926", "id": "MD_1578428063173853698065755"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001789307085876768320032 | 1001789307085876768320032753619512900390184074246335113191827520087676870261701033577312939349055710776706530737071727053834654281091431284811576525406468 | 2025-04-16T17:25:54 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.012057 | null | null | null | null | null | CO_7026995171238911092243906 | 7026995171238911092243906525566315112121737063012617219154975776181838905494317755742031071605460935983287325426456617287630956173246881418362502648538664 | 128272072056641777236505214572598615597159513763722368228945002387456313747711848076928588300513282710496468619140902014547270337954644645169177938245998 | [
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[
0,
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0
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[
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3.05755,
5.563452
]
] | [
[
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[
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0
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[
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0
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[
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2.759472192
],
[
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1.018163478,
2.803979808
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[
-5.2... | [
true,
true,
true
] | Dy5Mg | Dy5Mg | A5B | [
"Dy",
"Mg"
] | [
0.8333333333333334,
0.16666666666666666
] | [
66,
66,
66,
66,
66,
12
] | 6 | 2 | 0 | [
0,
0,
0
] | [
"all_oqmd_81973"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4997/MD_2966663141399963285864997.json | null | {"_oqmd_entry_id": 289415, "_oqmd_stability": 0.04252865499999815, "hash": "29666631413999632858649976752061509587665653262238300586661065987374950048356600105420911809217186164210252208398595423930980360524687076000751030921656", "id": "MD_2966663141399963285864997"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001716973581058573611543 | 10017169735810585736115437294601294205631348626556063497565681512111938182990198561894140419221558337393427026789861028614677867635664449695862843919603302 | 2025-04-16T17:49:49 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.245798 | null | null | null | null | null | CO_1029923839457886323817172 | 10299238394578863238171722815872607313941205900996947930364957935980795477685047899604515990362449537756696454903644267246242129259986160108863029287909823 | 3920470546801519673611802035042297150750383118288477588138188669916971243894152387527825041789715019365265925307290772120989855984526598197931991402340312 | [
[
0,
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2.988579
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[
2.988579,
0,
2.988579
],
[
2.988579,
2.988579,
0
]
] | [
[
0,
0,
0
],
[
4.4828685,
4.4828685,
4.4828685
],
[
1.4942895,
1.4942895,
1.4942895
],
[
2.988579,
2.988579,
2.988579
]
] | [
true,
true,
true
] | Co2CrSn | Co2CrSn | A2BC | [
"Co",
"Cr",
"Sn"
] | [
0.5,
0.25,
0.25
] | [
27,
27,
24,
50
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_322283"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3943/MD_1340772490309831763003943.json | null | {"_oqmd_entry_id": 733351, "_oqmd_stability": 0.329869027887659, "hash": "13407724903098317630039436601812870046758759147729875706706262156811064920197232723402708436066601752765187229394759765131399719618693762299119650667103950", "id": "MD_1340772490309831763003943"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001750322633366468319759 | 1001750322633366468319759649895469913417455445313677123817363829601601389108290744272686982126988746157195265813018111631241147347682978401209213733350390 | 2025-04-16T17:52:43 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.616525 | null | null | null | null | null | CO_7033209132310128404294849 | 7033209132310128404294849802810829040892298638914069647806821006453774349876831426602647890970829936261117536591228862165535919741346348738617483610264670 | 10981635624748357606742574227439860893672005427132060610415501495199596959153284768471355960413167963798315448588032695941254629216687879162326683544422647 | [
[
1.77843,
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4.350107
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[
-1.77843,
1.026777,
4.350107
],
[
0,
-2.053554,
4.350107
]
] | [
[
0,
0,
0
],
[
0,
0,
6.5251605
]
] | [
true,
true,
true
] | MoTh | MoTh | AB | [
"Mo",
"Th"
] | [
0.5,
0.5
] | [
42,
90
] | 2 | 2 | 0 | [
0,
0,
0
] | [
"all_oqmd_1001"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3685/MD_3405197703079483421753685.json | null | {"_oqmd_entry_id": 326375, "_oqmd_stability": 0.616525285, "hash": "3405197703079483421753685879060987704269759970537846165106222424721452488177722630460533214298881761311901457223963989366400071428010887129716732518463725", "id": "MD_3405197703079483421753685"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001781903729792721435360 | 10017819037297927214353606967766094125578188214454823074600896776900093865041276733347408962626758226205351998205111465531206348661317473274794139675503923 | 2025-04-16T18:04:13 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.164585 | null | null | null | null | null | CO_3064043897228417345733912 | 306404389722841734573391299641165818111606635682569719015230028008354839769718682357330140993381287355355406658058047740159238308435000764037925432088778 | 5776667292670208463799663747514911912856839233789684011918409538898101104698220284849925318258209039460489445867355828329912160349672822903587769671162997 | [
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0,
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[
2.878996,
0,
2.878996
],
[
2.878996,
2.878996,
0
]
] | [
[
1.439498,
1.439498,
1.439498
],
[
4.318493999999999,
4.318493999999999,
4.318493999999999
],
[
0,
0,
0
]
] | [
true,
true,
true
] | IrMgNi | IrMgNi | ABC | [
"Ir",
"Mg",
"Ni"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
77,
12,
28
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_786061"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0235/MD_2637133847925273354030235.json | null | {"_oqmd_entry_id": 960235, "_oqmd_stability": 0.42501073, "hash": "2637133847925273354030235843922377824317010665426116104614044172297396692212932578406316967355112632879380218065014237564187305916555395661800046027772927", "id": "MD_2637133847925273354030235"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001722840839919716710475 | 10017228408399197167104759888481880501393104497617792576034974738195231367283102048403852277928445341369557617488498304521292345025972797010307396006550688 | 2025-04-16T18:58:19 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.736518 | null | null | null | null | null | CO_9262145686222007460597790 | 9262145686222007460597790568149276533036810404442796580043921695799250740875537603097223520424774431427807979328702043477339821200111528666640017093747464 | 11750715488013747399379426646154505449006854030313739265441984822303158373061994639245440864752662160935821612770396967387852714543269503025216152478968029 | [
[
0,
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[
3.391394,
0,
3.391394
],
[
3.391394,
3.391394,
0
]
] | [
[
0,
0,
0
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[
3.391394,
3.391394,
3.391394
],
[
1.695697,
1.695697,
1.695697
],
[
5.087091,
5.087091,
5.087091
]
] | [
true,
true,
true
] | Mo2TlTm | Mo2TlTm | A2BC | [
"Mo",
"Tl",
"Tm"
] | [
0.5,
0.25,
0.25
] | [
42,
42,
81,
69
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_146808"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0393/MD_7119502428682716479800393.json | null | {"_oqmd_entry_id": 447883, "_oqmd_stability": 0.8812708225, "hash": "7119502428682716479800393444341781797304697880253965991604948672567314501862424858385433221448401616000317033282449619789120382455868458331673112909930293", "id": "MD_7119502428682716479800393"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001769381568270654509315 | 10017693815682706545093152714554743770421211181784504000884766670170305851818547793003771302642023478377048802572689921586936055989431258147905141718780213 | 2025-04-16T19:49:36 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.260815 | null | null | null | null | null | CO_1132039247935963948492172 | 1132039247935963948492172379590862445613503242104594225409161662153290065737071644947100520594205544105600823024752196596125015721718822922951836816284524 | 9467704640064286387595323389701989837147156736254709769443862869208512839171764006195628648858459557672931039110239601197824632278152355185106062427355894 | [
[
0,
3.314493,
3.314493
],
[
3.314493,
0,
3.314493
],
[
3.314493,
3.314493,
0
]
] | [
[
1.6572465,
1.6572465,
1.6572465
],
[
0,
0,
0
],
[
4.9717395,
4.9717395,
4.9717395
]
] | [
true,
true,
true
] | HgMnY | HgMnY | ABC | [
"Hg",
"Mn",
"Y"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
80,
25,
39
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_744566"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3603/MD_5133224961820930434773603.json | null | {"_oqmd_entry_id": 904959, "_oqmd_stability": 0.582024413675015, "hash": "5133224961820930434773603161185338083303794897948366586773166740895979828357981987985492820723295394732455472701954538286433321420621466629504756944404481", "id": "MD_5133224961820930434773603"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001799653336946892618061 | 10017996533369468926180617962818523331791119325810208558912104513873728332843838061125472285355288836373932632489256957560383973544702178008683990100953912 | 2025-04-16T18:31:36 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.273236 | null | null | null | null | null | CO_3247310567094277052432784 | 3247310567094277052432784028331016210307116214946303520457513742787894868643516978824526826007525522988579601157942948913500582503593339148190118736730366 | 11852930601334853388819690686795639686027745822503260205560574812967049658581213270567146884840784228892000055867264522087235946727567585097597173015229971 | [
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0,
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2.979991
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[
2.979991,
0,
2.979991
],
[
2.979991,
2.979991,
0
]
] | [
[
1.4899955,
1.4899955,
1.4899955
],
[
0,
0,
0
],
[
4.4699865,
4.4699865,
4.4699865
]
] | [
true,
true,
true
] | BiCoFe | BiCoFe | ABC | [
"Bi",
"Co",
"Fe"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
83,
27,
26
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_490657"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/5721/MD_4752867093252710658075721.json | null | {"_oqmd_entry_id": 861125, "_oqmd_stability": 0.316557755216607, "hash": "4752867093252710658075721735485703095310363306002195244390079288410311316299221421514715287567394220833734372939770259496326248739709073643825681249588311", "id": "MD_4752867093252710658075721"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001781885634130788046140 | 10017818856341307880461401718130980121986792125031959961315536060228055533395482123378673656101875336630918523338540591088166715619977809949576948947799704 | 2025-04-17T17:56:16 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.199069 | null | null | null | null | null | CO_2617486608037388200575543 | 2617486608037388200575543190476522708944792749483587807623590481546617621789460543827686013076049194527404954992914474260308597006560338597114647077547382 | 8363494127622616421253325087151519480122910151904538160651946831743657529473355987334713431612562290592522847302833666088415615281490947409438019225256375 | [
[
0,
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[
2.978978,
0,
2.978978
],
[
2.978978,
2.978978,
0
]
] | [
[
1.489489,
1.489489,
1.489489
],
[
2.978978,
2.978978,
2.978978
],
[
0,
0,
0
],
[
4.468467,
4.468467,
4.468467
]
] | [
true,
true,
true
] | FeLiTi2 | FeLiTi2 | A2BC | [
"Fe",
"Li",
"Ti"
] | [
0.25,
0.25,
0.5
] | [
26,
3,
22,
22
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_323070"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9550/MD_5248657228151235949329550.json | null | {"_oqmd_entry_id": 734443, "_oqmd_stability": 0.427289153125, "hash": "5248657228151235949329550177969193899254809140622712763598922343204516926893291741712527942966053249252441852187842695391988556504036561008996501380552639", "id": "MD_5248657228151235949329550"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001711376070093835708866 | 10017113760700938357088662017437629850256971581735385659542447113043118408446018016945650658507297188959923169811797014816453335445001574051246798729458551 | 2025-04-16T21:28:46 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.734872 | null | null | null | null | null | CO_9084648979661517162353654 | 9084648979661517162353654634358434972857671789655869827518677146564534571739568809488733495426518892099032250488330310291753468926508907781102904137496898 | 4836643675067408408664325519636714819074272879877039347339294501622909270354797392242827275753905815734898968288987509429605143625795812780321444354211787 | [
[
0,
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[
3.599476,
0,
3.599476
],
[
3.599476,
3.599476,
0
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] | [
[
1.799738,
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1.799738
],
[
5.399214000000001,
5.399214000000001,
5.399214000000001
],
[
3.599476,
3.599476,
3.599476
],
[
0,
0,
0
]
] | [
true,
true,
true
] | PbPtTm2 | PbPtTm2 | A2BC | [
"Pb",
"Pt",
"Tm"
] | [
0.25,
0.25,
0.5
] | [
82,
78,
69,
69
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_140209"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9219/MD_2317607559273216526499219.json | null | {"_oqmd_entry_id": 435148, "_oqmd_stability": 0.106545849889137, "hash": "2317607559273216526499219395313753361889597331309796503767947704950700778452451310391724770238705183943981595147773637720989283015406517593293666633886762", "id": "MD_2317607559273216526499219"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001700385969924848339045 | 10017003859699248483390455349072823891570641497668729946539001669316813984124113047555242184498916400087543875853167359187733469863388506109852463813443998 | 2025-04-16T15:09:30 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.092073 | null | null | null | null | null | CO_7701796247123491748961044 | 7701796247123491748961044606681491324824963023470517426918911630037665267790875824431383280441225901112536105362162888405523711165735588387859111066200200 | 4346879364362573741560199923116369319577625305748076025880845271424804824395125561916627501395927811692274622119435204476296484561116609611587949493564098 | [
[
2.581998,
1.490717,
4.216385
],
[
-2.581998,
1.490717,
4.216385
],
[
0,
-2.981435,
4.216385
]
] | [
[
0,
-2.499999999239222e-7,
3.16228875
],
[
0,
0,
0
],
[
0,
-4.999999998478444e-7,
6.3245775
],
[
-1.1102230246251565e-16,
-7.499999997717666e-7,
9.48686625
]
] | [
true,
true,
true
] | MgScSn2 | MgScSn2 | A2BC | [
"Mg",
"Sc",
"Sn"
] | [
0.25,
0.25,
0.5
] | [
12,
21,
50,
50
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_509372"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4672/MD_6289996388490770062974672.json | null | {"_oqmd_entry_id": 1117494, "_oqmd_stability": 0.350772822276065, "hash": "6289996388490770062974672181520291783012692953609556081238637229387386775021896922563222806670632343290619301485870313983156180950716026103424969710341986", "id": "MD_6289996388490770062974672"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001771620150301809568461 | 10017716201503018095684617143930614899351455799615317682171772575598740622179972924120404088948613484551041278138365436239911824611494099040297748069942842 | 2025-04-16T15:23:10 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0.193 | unknown | 0.24618 | null | null | null | null | null | CO_5414699738899103609922600 | 5414699738899103609922600252446099355591830613577857992584501265362473094913659254014572738214480026905136223940517838910459195112226672447130110085335744 | 10231256842782734326760617206941154258880563346637233105119815644929531019565578467919278242797141706630923764418310367705839903581083528166330052214793664 | [
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[
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0,
5.... | [
true,
true,
true
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0.6666666666666666,
0.3333333333333333
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20,
20,
20,
20,
32,
32
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PO_1001736780629063954018896 | 10017367806290639540188968477877933718906596813296787756918047596583492961634413458132177682472542148092368679380090322191588092744222183994442435735948283 | 2025-04-16T16:48:31 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.652267 | null | null | null | null | null | CO_9920338141720736300111989 | 9920338141720736300111989370532658262414262382375902987683393526948378433018798722236505044871225969982021084018061874924122601916922435360228261604826361 | 11497766745879506765765828109632714196476484931334448173173704775510462860854633195471373853418227008975831030899200437498223692385728858512668929977407780 | [
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[
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[
0,
0,
0
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] | [
true,
true,
true
] | AuBeTl | AuBeTl | ABC | [
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"Be",
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] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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79,
4,
81
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0,
0
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PO_1001750852183915682740931 | 10017508521839156827409314249522807237673607083448280809792529373589107877639932184254871976118577438402027932188447867923610465399953459174892034890479682 | 2025-04-16T20:32:44 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.545426 | null | null | null | null | null | CO_5160434385528110637920488 | 5160434385528110637920488187319946933574827517275382241313789030548340519761774358998996381279223188328917652434831267859461334577131241256145211622813019 | 636479373305045522757000869506078783451651390652771873303377645276050016770770453383024753428979704322773365170362517738653133240576903298189694377197334 | [
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[
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[
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1.5042986413,
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[
4.0... | [
true,
true,
true
] | O8Os2Te4 | O4OsTe2 | A4B2C | [
"O",
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"Te"
] | [
0.5714285714285714,
0.14285714285714285,
0.2857142857142857
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8,
8,
8,
8,
8,
8,
8,
76,
76,
52,
52,
52,
52
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0,
0,
0
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PO_1001793959540158506873267 | 10017939595401585068732675868502288647999666209602278745597295557555931184118495405752424972793660945133330086778780701560895294245644994663160771944756538 | 2025-04-16T21:37:22 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -1.18195 | null | null | null | null | null | CO_1882878313783952292243816 | 1882878313783952292243816620412069924257758250401696708242959979526317698544175127566832386734056100048423328950602176742433127936247575617814754027521153 | 353080685162432037248405263687143684357542918424429188554161775103578305508801179496573704429648037631073412105859795152321566799648489415913802085175013 | [
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[
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[
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1.678523453905,
0
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[
2.8017054632329996,
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true,
true,
true
] | K3Na3S3 | KNaS | ABC | [
"K",
"Na",
"S"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
19,
19,
19,
11,
11,
11,
16,
16,
16
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0,
0,
0
] | [
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PO_1001761770898089027192379 | 1001761770898089027192379924711300499885315625664237905297584758750276400128008989316021638038372507069520971050371150281774247786216968087705386505018353 | 2025-04-16T16:09:54 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.211058 | null | null | null | null | null | CO_3188228014336762133411078 | 3188228014336762133411078542039699588291147598223580344347303122836977477568860288172724605107288296475595054766703707236396799462998065158367182943777340 | 5442023722575351412908722996858080736561392369662991790744987616088341433811345369034756833881741057540646811427420238740785157357004480971953865166519176 | [
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[
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] | [
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[
4.485063,
4.485063,
4.485063
],
[
0,
0,
0
]
] | [
true,
true,
true
] | LiSiTi | LiSiTi | ABC | [
"Li",
"Si",
"Ti"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
3,
14,
22
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0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/8436/MD_1262843621538764807968436.json | null | {"_oqmd_entry_id": 994484, "_oqmd_stability": 0.77585209651019, "hash": "12628436215387648079684368712615034381034866582118055084182739028082240429001746393380769275442760547825870442665158857237567160061013905973269624447741896", "id": "MD_1262843621538764807968436"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001749975912695570316187 | 10017499759126955703161870735501046643297499130830908663689281217148932846824232736565905963257518656453829123261621789150404070763662017661115842639338751 | 2025-04-16T16:09:54 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 1.822353 | null | null | null | null | null | CO_1083997092477058578729443 | 10839970924770585787294432161634782905509847859626291438514301490522814778321898180623667346257668669460186590500277806176864518376057972085365402239966439 | 12485412532526525491387910987594107504588064447803805616411702072894640917161271662100686682194382465079850969071934185695335148593433148491374673666756284 | [
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[
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0
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] | [
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[
5.159598,
5.159598,
5.159598
],
[
0,
0,
0
]
] | [
true,
true,
true
] | AuCsOs | AuCsOs | ABC | [
"Au",
"Cs",
"Os"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
79,
55,
76
] | 3 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9588/MD_1234791360905292985519588.json | null | {"_oqmd_entry_id": 571380, "_oqmd_stability": 2.04090884109278, "hash": "12347913609052929855195887712664940731579943005376332367860170187775526581444146100926432127458719036829800886500566696690143941850411629735667416722892602", "id": "MD_1234791360905292985519588"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001796804693703827201975 | 10017968046937038272019756999859486953588714159793629065981083808173699666094755004577112652533634885390628967038906825759449941597826640023997383932185962 | 2025-04-16T20:48:22 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.30497 | null | null | null | null | null | CO_9588527436379955973204972 | 9588527436379955973204972414089016640917242493718540818316845169873684978689780805416691216849825359488281486775050846301996981703232116777291399888512482 | 287524576847791441537721318962455366400323769492509823692381682687072543759071620567036181377449913732084461021956589722294851033723461759000685086879953 | [
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[
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[
5.5565774999999995,
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] | [
true,
true,
true
] | Bi2CeMn | Bi2CeMn | A2BC | [
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"Ce",
"Mn"
] | [
0.5,
0.25,
0.25
] | [
83,
83,
58,
25
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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PO_1001742620728950215008761 | 10017426207289502150087612982870574975042823344198816164636643970872482324046741279789159739750334791950593081066612870520974527865315026372980169277265450 | 2025-04-16T21:12:44 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.131436 | null | null | null | null | null | CO_6851186323149831870358694 | 6851186323149831870358694848454516664741071835446852626684039708046779937309750751187891120860899312307999713610948679306315382680511569922542348866739240 | 5621076491740805760143937459973662092175507386966925666986432368248784598173388507251449965126569354502959059069993876737930409729800784320657951543531396 | [
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[
4.6236945,
4.6236945,
4.6236945
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[
0,
0,
0
]
] | [
true,
true,
true
] | BeNbNiSn | BeNbNiSn | ABCD | [
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"Ni",
"Sn"
] | [
0.25,
0.25,
0.25,
0.25
] | [
4,
41,
28,
50
] | 4 | 4 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6349/MD_4464741362986150021666349.json | null | {"_oqmd_entry_id": 821519, "_oqmd_stability": 0.46508570025, "hash": "4464741362986150021666349941612394943571895256256133502829719571112551437003646495661938149085939341115359785969132403804899077199660444684908037880563818", "id": "MD_4464741362986150021666349"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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[
0,
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0
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[
4.602912,
4.602912,
4.602912
]
] | [
true,
true,
true
] | AsLiY | AsLiY | ABC | [
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] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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33,
3,
39
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0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6788/MD_1330054422347077040216788.json | null | {"_oqmd_entry_id": 882152, "_oqmd_stability": 0.367926251852608, "hash": "13300544223470770402167882215722758457013120575159932300673089776659935591092271326956810140547221855593860250161537660419578396527402012706013011785268416", "id": "MD_1330054422347077040216788"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001754703047115088532511 | 10017547030471150885325114658449640070909425662753189454809368929709770694934276161873563791410248641579509257197759577859321378284690011227040229937818098 | 2025-04-16T19:57:22 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.234065 | null | null | null | null | null | CO_1011116324168135689263586 | 10111163241681356892635864039558416537024479580090868372198391032157721691625655487387166704693312399528016983876309859767553111675711679180420449094572854 | 1853835627457826758080512440048134131043024803593446671783455080346281792793203344038049268436616919415578345842142758885196211512804157622343158925964265 | [
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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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3.43543
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[
0,
0,
0
],
[
1.717715,
1.717715,
1.717715
]
] | [
true,
true,
true
] | CuMnTlY | CuMnTlY | ABCD | [
"Cu",
"Mn",
"Tl",
"Y"
] | [
0.25,
0.25,
0.25,
0.25
] | [
29,
25,
81,
39
] | 4 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_380584"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4996/MD_7479688142727552280184996.json | null | {"_oqmd_entry_id": 793868, "_oqmd_stability": 0.446074913801725, "hash": "7479688142727552280184996162404155933679596627761032836841996255277012829864208294088167531172938777436032331071744713826181834903906508224953598779280827", "id": "MD_7479688142727552280184996"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001759966390213365776001 | 10017599663902133657760016479521726918296568531128962075397016397824565650949083248984758156931895506122155508847254762382443412186605784601116960766719632 | 2025-04-16T21:30:02 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.067872 | null | null | null | null | null | CO_4384573246550579065049528 | 4384573246550579065049528842275078950642410411387108593878631782292280414933240702638927100371398955919036506917699930606181151399905886545035406740683993 | 9428079417650871704653951808333648049927126629875909215219039987694466791617156752832039383184362474011984303820260346551630514425164125249034050262384955 | [
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[
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[
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[
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5.2189425
],
[
0,
0,
0
],
[
3.479295,
3.479295,
3.479295
]
] | [
true,
true,
true
] | NbTeZr2 | NbTeZr2 | A2BC | [
"Nb",
"Te",
"Zr"
] | [
0.25,
0.25,
0.5
] | [
41,
52,
40,
40
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_233425"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9985/MD_3091138385779474957849985.json | null | {"_oqmd_entry_id": 556881, "_oqmd_stability": 0.421507566464027, "hash": "3091138385779474957849985267489177395376464030115779540679281560470945366232691029562280441064043932492151970449560093069088015052373358309876994865208588", "id": "MD_3091138385779474957849985"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001792737376301227897632 | 10017927373763012278976321909834850204839244489138315362870738053548440142254487772547027323664065251257975642253604397258924999176182795665378884228479461 | 2025-04-16T21:23:51 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -1.670692 | null | null | null | null | null | CO_2822565410076756564002553 | 2822565410076756564002553088155648870876016130099085775041016713180733946144053173833118366378758241143795029352606588612252251679356478824911410596347324 | 8681630580759116759783915287382089588472687851837964994847882069232814759831321715133696287891026200490873747697660543238133477347437808388755597652259803 | [
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[
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5.872981
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] | [
[
1.1102230246251565e-16,
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[
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[
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[
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4.40473575,
2.220446049250313e-16
],
[
-1.4682452499999998,
5.872981... | [
true,
true,
true
] | Al12Bi8Li12O48 | Al3Bi2Li3O12 | A12B3C3D2 | [
"Al",
"Bi",
"Li",
"O"
] | [
0.15,
0.1,
0.15,
0.6
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13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
83,
83,
83,
83,
83,
83,
83,
83,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8... | 80 | 4 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/5879/MD_8912888824375628687695879.json | null | {"_oqmd_entry_id": 675433, "_oqmd_stability": 0.490262413718755, "hash": "8912888824375628687695879058306289981548888577156490289100167722636918163013361349284909079665661576187177282552291367004645908625005078778628360638228690", "id": "MD_8912888824375628687695879"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001712845075502450857698 | 100171284507550245085769873131196968748244118705577861254759158806112520318706057591357726644209569209566142178422700459930836372995299189890907358103433 | 2025-04-16T16:47:36 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.705325 | null | null | null | null | null | CO_1110801488879883324200047 | 1110801488879883324200047491691889448940741471097755514954301994421918316193687299930283491037607248055293248532843126370867355755584172036711945285574684 | 11416311231025805748294939001646711666098427791947003873737092042075439259768124635827207446796670566471115326565183138595980222248253406776464957372089259 | [
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[
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0,
3.553822
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[
3.553822,
3.553822,
0
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] | [
[
0,
0,
0
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[
3.553822,
3.553822,
3.553822
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[
1.776911,
1.776911,
1.776911
],
[
5.3307329999999995,
5.3307329999999995,
5.3307329999999995
]
] | [
true,
true,
true
] | Ir2PmTh | Ir2PmTh | A2BC | [
"Ir",
"Pm",
"Th"
] | [
0.5,
0.25,
0.25
] | [
77,
77,
61,
90
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_57407"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4990/MD_3165994610842588098414990.json | null | {"_oqmd_entry_id": 458361, "_oqmd_stability": 0.105283520000001, "hash": "3165994610842588098414990650683897501138270720330566766371333884451459354362034463735931927247191525412955888967886323478524413786158721101703591056799870", "id": "MD_3165994610842588098414990"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001759005956783732733547 | 10017590059567837327335471656984294424892875210612071617983504489344119392833998918633972157441985047415886675941438301771450695944455720629785911885528899 | 2025-04-16T15:43:19 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.086458 | null | null | null | null | null | CO_1041830366208827975769734 | 10418303662088279757697344266121426797207152216512462348749354926026942028153293332263161584832830052874646736062157876582121431416468304860725656217279637 | 305280322936981714254211412743764994917388544013298048984227650145269295532793725277700298092482365297094996048029330755208753777369152965588104833588199 | [
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[
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[
3.256561,
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0
]
] | [
[
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[
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4.8848415
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[
3.256561,
3.256561,
3.256561
],
[
0,
0,
0
]
] | [
true,
true,
true
] | AgCuPdTl | AgCuPdTl | ABCD | [
"Ag",
"Cu",
"Pd",
"Tl"
] | [
0.25,
0.25,
0.25,
0.25
] | [
47,
29,
46,
81
] | 4 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_381229"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2573/MD_3423747523110857967372573.json | null | {"_oqmd_entry_id": 794797, "_oqmd_stability": 0.189848146421986, "hash": "3423747523110857967372573556393938577515843225111839737749981525706773953720222653835040902625172422867134941917229054858735272479658847775134226183135508", "id": "MD_3423747523110857967372573"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001753668278794913596320 | 10017536682787949135963206615823951628150044965286361560897271106500216839791096614223207334035110308623902593644853730751113573487011401890127055753601015 | 2025-04-16T16:55:27 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.171745 | null | null | null | null | null | CO_4626124511682668737690928 | 4626124511682668737690928772563357302984420377127670701538217584728331757529553457333989395411796160683916096592271201800645527420619883791956884321676413 | 11260322951969683961254151995491534991031523293785687919197573762487300272913468709696386900095806147781669823761855028176925372007567616019860184249027062 | [
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[
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[
0,
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3.677434534
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] | [
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0
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[
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0
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[
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0
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[
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0
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[
0,
0,
0
],
[
4.603472496,
4.603472496,
0
],
[
2.9922571224... | [
true,
true,
true
] | Er4Mg2Sm4 | Er2MgSm2 | A2B2C | [
"Er",
"Mg",
"Sm"
] | [
0.4,
0.2,
0.4
] | [
68,
68,
68,
68,
12,
12,
62,
62,
62,
62
] | 10 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_647782"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/8333/MD_4226341241113797029638333.json | null | {"_oqmd_entry_id": 1475415, "_oqmd_stability": 0.21351032849999985, "hash": "4226341241113797029638333855540623523025367072310178627319700722145717743108738601465699082457167431852651124897127440309412109014242165114234008326756513", "id": "MD_4226341241113797029638333"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001710856404052312644349 | 10017108564040523126443492181293583501247236395844137913515712531286385553638252473249303327675562266814508517677975280560758883625054287546394974866040308 | 2025-04-17T17:45:49 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.340759 | null | null | null | null | null | CO_9312194452819090105758137 | 93121944528190901057581374579326406698547472625135308776193744537078424533195585896939702283094422383834719402794069818171124685925925632753465313171220 | 11952867408997705171288508059538383988031692923545747196240300887474349398658838142890180005814252187592971715206157454789961704980009931368684404210952222 | [
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[
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[
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0
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] | [
[
0,
0,
0
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[
1.521586,
1.521586,
1.521586
],
[
4.564758,
4.564758,
4.564758
]
] | [
true,
true,
true
] | GeNbOs | GeNbOs | ABC | [
"Ge",
"Nb",
"Os"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
41,
32,
76
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"CFID_OQMD_460k_362161",
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0921/MD_1233221496251650429250921.json | null | {"_oqmd_entry_id": 920189, "_oqmd_stability": 0.6235583191789, "hash": "12332214962516504292509213056431599093666645667207695562380140207966658144079026785007531182119703584534380090941876824450802975820853191255904976151274538", "id": "MD_1233221496251650429250921"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001733387237341312775065 | 10017333872373413127750659845432069376486201321702246679907199665697946612747984685078701499079432853545721854985719617298181463273262506415278242693083694 | 2025-04-16T18:20:07 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.45957 | null | null | null | null | null | CO_9081466016563332416237571 | 9081466016563332416237571637719844398021938738793791803978097129342671632287744616251788471299964909194501121230916770360934165315153066552491978077227939 | 8142326199279271240046389154864401603402930372793019041346710614341058080371648822735730964144028134350542417320417577026106807559220253774413302439932830 | [
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[
0,
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0
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[
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]
] | [
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0,
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0
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[
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0
],
[
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0,
1.889082
],
[
0,
-2.071447,
1.889082
]
] | [
true,
true,
true
] | InPd3 | InPd3 | A3B | [
"In",
"Pd"
] | [
0.25,
0.75
] | [
49,
46,
46,
46
] | 4 | 2 | 0 | [
0,
0,
0
] | [
"all_oqmd_10285"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4629/MD_1125204072334568497484629.json | null | {"_oqmd_entry_id": 26847, "_oqmd_stability": 0.006737527499999951, "hash": "11252040723345684974846296399508898183500876530799453814996523340367453995519095341172948588567839575552265560151252797752450928678933795128410456491121985", "id": "MD_1125204072334568497484629"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001770486682964336165394 | 10017704866829643361653948366188631873629038540794756281074134079970447938484132684501055261575398361634703570309856633484678907483922672051310102077145038 | 2025-04-16T17:19:09 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.561421 | null | null | null | null | null | CO_8748784466317751737290826 | 8748784466317751737290826104777484581816381713727199737399367329033079155165511861070072295792527610622043146060333143720029219692536816825844315874774775 | 12673935761203491832696749220050386153187060143423389239699565455702596563038367156995417575608488172270389239138357157748624582709383249390417176117121642 | [
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[
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0,
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[
3.133651,
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0
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] | [
[
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[
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0
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[
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3.133651
],
[
4.7004765,
4.7004765,
4.7004765
]
] | [
true,
true,
true
] | AgOs2W | AgOs2W | A2BC | [
"Ag",
"Os",
"W"
] | [
0.25,
0.5,
0.25
] | [
47,
76,
76,
74
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_111620"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3704/MD_1043583392859220918983704.json | null | {"_oqmd_entry_id": 369647, "_oqmd_stability": 0.598686254977991, "hash": "10435833928592209189837044796753795537828524980405559480041430373489728189427193698386007356649457969501670823365799815582410868625981024638081793348255322", "id": "MD_1043583392859220918983704"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001736450241307659867923 | 10017364502413076598679239224675100227006650154517595562526535805879120744958163134335139781462033272450867026263425817253917011488682352455929659399711603 | 2025-04-16T17:52:48 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.645918 | null | null | null | null | null | CO_5730955094211191480090547 | 5730955094211191480090547538074236458006780225161289989967717669622235071068785935417261176501184585315719054174928298624725428935790174814147276989523160 | 5136187933884381400334049831021014382386636735933646428192634771985916268349784819902588594788053813240595085612207827528853767519025383122083645644877126 | [
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[
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0
],
[
0,
0,
7.513799887
]
] | [
[
1.587873867246,
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[
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[
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[
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1.832602965561,
5.800653512764001
],
[
0,
0,
0
... | [
true,
true,
true
] | B4HfYb | B4HfYb | A4BC | [
"B",
"Hf",
"Yb"
] | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
5,
5,
5,
5,
72,
70
] | 6 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_645145"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9786/MD_2164014351584242758199786.json | null | {"_oqmd_entry_id": 1461618, "_oqmd_stability": 0.046360192738068906, "hash": "2164014351584242758199786394759365382275493321909372338528133581366299909586804841662335072909473590183440966567373539303362143572734519513905490641417655", "id": "MD_2164014351584242758199786"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001762891150493313690138 | 10017628911504933136901386358371109521468853321010131074752949178505818577658489617644146070626937939936808840850038351838014697983128584648030794031596263 | 2025-04-16T15:14:02 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.253292 | null | null | null | null | null | CO_5439070502699375307859112 | 5439070502699375307859112342450099757936282326168056082113848064334971643630065760851560970229308273655927783233824544335217460039150844160224744597182033 | 4897268802086482653675164682527645591732648990723999119545297140185637959950155964991555438579051649605772853319552349360751700856624466602131361492223981 | [
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[
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[
3.606628,
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0
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[
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[
0,
0,
0
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[
1.803314,
1.803314,
1.803314
],
[
5.409942,
5.409942,
5.409942
]
] | [
true,
true,
true
] | Mg2PaSn | Mg2PaSn | A2BC | [
"Mg",
"Pa",
"Sn"
] | [
0.5,
0.25,
0.25
] | [
12,
12,
91,
50
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_125882"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4726/MD_9847283564647284831054726.json | null | {"_oqmd_entry_id": 395947, "_oqmd_stability": 0.436686813583718, "hash": "9847283564647284831054726653539129551278767791717411539666352371980548301453380253076301820793844334436526397586138023356906673699914244581268356717191037", "id": "MD_9847283564647284831054726"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001742323919810960035449 | 10017423239198109600354492523468226796919333231523076480686509373019009051411331216452945636042672638963965023713078274801837450422667438281435384125714923 | 2025-04-16T21:51:00 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.476564 | null | null | null | null | null | CO_7375846399397805058607689 | 737584639939780505860768997107923286884997545529636793130920748918574172249526425672925494556351113089782728488680443644609179770022354844432251405251159 | 36947747032153762457296432203471375839281192293765994046013252160209775662483698056843946376291257830223293243100608319300660938540012933299989714604374 | [
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[
3.622937,
0,
3.622937
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[
3.622937,
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0
]
] | [
[
1.8114685,
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[
0,
0,
0
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[
5.4344054999999996,
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5.4344054999999996
],
[
3.622937,
3.622937,
3.622937
]
] | [
true,
true,
true
] | CdHf2Pb | CdHf2Pb | A2BC | [
"Cd",
"Hf",
"Pb"
] | [
0.25,
0.5,
0.25
] | [
48,
72,
72,
82
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_270745"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3433/MD_2778307264607782554393433.json | null | {"_oqmd_entry_id": 746788, "_oqmd_stability": 0.527383894999999, "hash": "277830726460778255439343312653290790457371099192441795260201617612893202806429476802999110134374715878230092176449746510075046407604743253510811447277063", "id": "MD_2778307264607782554393433"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001763074609047757308510 | 10017630746090477573085100837092292051574480086397375050784738215996180850593070179654216889470718133653238391195039098510229778358381672082662311035328599 | 2025-04-16T18:57:04 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.705027 | null | null | null | null | null | CO_1739111794638736586434625 | 1739111794638736586434625057085026925382208110537470808200159067705687913291555997216199943228414371920324324320842206957312805217433840504400117004549438 | 3302916074408553209677061378691238706523240295990386274862200641813005471967102561964304628129194289752585281607042529882254321950201591704573918812955885 | [
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[
3.374616,
0,
3.374616
],
[
3.374616,
3.374616,
0
]
] | [
[
1.687308,
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[
5.061924,
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5.061924
],
[
0,
0,
0
],
[
3.374616,
3.374616,
3.374616
]
] | [
true,
true,
true
] | HfHoPd2 | HfHoPd2 | A2BC | [
"Hf",
"Ho",
"Pd"
] | [
0.25,
0.25,
0.5
] | [
72,
67,
46,
46
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_61248"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3787/MD_9351762921329591206203787.json | null | {"_oqmd_entry_id": 468661, "_oqmd_stability": 0.0990557212500004, "hash": "9351762921329591206203787360946066052607973041506563857857683236484880789948322721610648993320880228392497415947851796906689960247250185378878342769480323", "id": "MD_9351762921329591206203787"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001756660939709729130273 | 10017566609397097291302731168152746815865432510370295661878960594733728243132102078823775453087274659932978735356711489156232218014595718596802112807195465 | 2025-04-16T15:44:29 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.59465 | null | null | null | null | null | CO_3204426469491020607620523 | 3204426469491020607620523353387585700346262538874609773159631113270402860836829006878239126544994678910564612370030654586928751186598805568364273443164049 | 9378839847446599073228797028623564585112667401383221369766054738186218105984972116366310445884188673527784124104249359093691489226815533264425892315488727 | [
[
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[
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3.676676
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[
1.596724,
1.596724,
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] | [
[
0,
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0
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[
0,
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1.838338
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[
1.596724,
0,
1.838338
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[
0,
0,
3.676676
]
] | [
true,
true,
true
] | CMn3 | CMn3 | A3B | [
"C",
"Mn"
] | [
0.25,
0.75
] | [
6,
25,
25,
25
] | 4 | 2 | 0 | [
0,
0,
0
] | [
"all_oqmd_82386"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0578/MD_1231305788673577358870578.json | null | {"_oqmd_entry_id": 302155, "_oqmd_stability": 0.6857580850849591, "hash": "12313057886735773588705789249995424821619265759221999576230304077235947531096984537615173306846170142114267042654644119653140009902446202395567641332628655", "id": "MD_1231305788673577358870578"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001778296094984574654477 | 10017782960949845746544770346919073279023182014878481866796981831565755636649346349394227337132041283251720074278974975583956982855163940524023052421744853 | 2025-04-16T22:04:30 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.068017 | null | null | null | null | null | CO_3334545600871573966043295 | 3334545600871573966043295530137107752164083531274086194872821159788535896730989212835476069295242338166296858601770346860560944122515261912014088400076705 | 682747181171414947602425423835342965275116508591037992578918149919671776036993567220840323673190555603938618598988735343243569203775408535802483036342974 | [
[
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[
2.441198,
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5.028083
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[
2.441198,
2.441198,
-5.028083
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] | [
[
0,
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2.5140415
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[
2.441198,
0,
2.5140415
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[
1.11074509e-16,
1.11074509e-16,
5.028083
],
[
0,
0,
0
]
] | [
true,
true,
true
] | Th3Zr | Th3Zr | A3B | [
"Th",
"Zr"
] | [
0.75,
0.25
] | [
90,
90,
90,
40
] | 4 | 2 | 0 | [
0,
0,
0
] | [
"all_oqmd_79636"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7389/MD_1224113331181533047687389.json | null | {"_oqmd_entry_id": 298785, "_oqmd_stability": 0.0680167300000001, "hash": "12241133311815330476873893216578847252494526704117241616438387646896469291704882043560619737654998343933918309459995404751736965033907850313516602738808776", "id": "MD_1224113331181533047687389"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001787240797416489190747 | 10017872407974164891907473690741943393086525231258721926787075970358952811679152130290257357088804777728132475920503142790365674102117057206584989673732093 | 2025-04-16T18:24:08 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.385698 | null | null | null | null | null | CO_3526402872868567419551838 | 3526402872868567419551838288001156437925258875414353076855449706395460735176660727441853678326314320828298097263702837667507289333004346032921979155822816 | 5627664164188406651785351010753667697163676251511472080595844136835049245686976412841753852442104623036516536977126651186819787429767691417505068093672851 | [
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[
3.050866,
0,
3.050866
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[
3.050866,
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0
]
] | [
[
1.525433,
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1.525433
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[
4.576299000000001,
4.576299000000001,
4.576299000000001
],
[
0,
0,
0
]
] | [
true,
true,
true
] | PtReTa | PtReTa | ABC | [
"Pt",
"Re",
"Ta"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
78,
75,
73
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_694657"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/1325/MD_9409677275268290052091325.json | null | {"_oqmd_entry_id": 962670, "_oqmd_stability": 0.911286101050112, "hash": "940967727526829005209132559935128467418604844731628041189830587025276838233854233158698003188989216495544936166504329255145963371214589688194578268574336", "id": "MD_9409677275268290052091325"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001737776936580467891907 | 10017377769365804678919072646344693788020420190721803707669955703902159814371717388134718639935248028355575639232028049194199493035968569517952239530229911 | 2025-04-16T17:25:54 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.645749 | null | null | null | null | null | CO_3375123475290339301805044 | 3375123475290339301805044213038581399303795395516074479577692633524907380269904272628212586458146141475407918422966421905099712271821710621841584037342092 | 2652115942992045336686690944174737043535620976835462063839194725131589229202270130062257556947671449263027139537443689692692577173733320770568843691079156 | [
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[
3.594683,
0,
3.594683
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[
3.594683,
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0
]
] | [
[
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1.7973415
],
[
5.3920245,
5.3920245,
5.3920245
],
[
0,
0,
0
]
] | [
true,
true,
true
] | BaCuSm | BaCuSm | ABC | [
"Ba",
"Cu",
"Sm"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
56,
29,
62
] | 3 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4103/MD_6049367801925149563394103.json | null | {"_oqmd_entry_id": 578729, "_oqmd_stability": 0.7853474073646605, "hash": "6049367801925149563394103650903720648671828489869085230921252468643245129462412489830136404376713369436755206854589181172479369884095153574716830079140967", "id": "MD_6049367801925149563394103"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001745826485595058044744 | 10017458264855950580447440807038198860916932357182389045442807724767479020828760696434815080707796178751314033348654918548976818558169725385552313808371271 | 2025-04-16T17:54:59 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.025577 | null | null | null | null | null | CO_9468988247700985063664775 | 9468988247700985063664775317810936215297988036260588890489882730252160392298712847448969935463859514436373596134821426957418671601424080477233173542211853 | 10352087116369168487178790772627871137313579373456956041572419543948139964881497038047028918071062317634810847052540306031479839845047433325003875976869767 | [
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[
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[
1.752103,
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] | [
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[
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],
[
0,
0,
3.692985
],
[
0,
0,
0
]
] | [
true,
true,
true
] | Cu3Li | Cu3Li | A3B | [
"Cu",
"Li"
] | [
0.75,
0.25
] | [
29,
29,
29,
3
] | 4 | 2 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6350/MD_7467669804761957597086350.json | null | {"_oqmd_entry_id": 299135, "_oqmd_stability": 0.013704986075066473, "hash": "7467669804761957597086350700594465423075257254433473276908755783366672443034565687851153046476476913652304842025198679766888581159019277410020982341470178", "id": "MD_7467669804761957597086350"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001731034366605661218336 | 10017310343666056612183360944012650543571231798359569310976067138636524948199484385615551339650676422734146441534476574910242844356959807375947391588008949 | 2025-04-16T21:21:56 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.613 | unknown | -2.191565 | null | null | null | null | null | CO_1021069364248082521619825 | 10210693642480825216198251210768977408155665039662080913765803136522995034449120308471307814960163819139933762131931000708171500687135783048365804026871136 | 387991239970382535368932121203038726297288669391529516277744801537404841279459151988723246598523219408344642065860920690998930931070327616445086307154867 | [
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[
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[
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true,
true,
true
] | Li4O6TaTl | Li4O6TaTl | A6B4CD | [
"Li",
"O",
"Ta",
"Tl"
] | [
0.3333333333333333,
0.5,
0.08333333333333333,
0.08333333333333333
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3,
3,
3,
3,
8,
8,
8,
8,
8,
8,
73,
81
] | 12 | 4 | 0 | [
0,
0,
0
] | [
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PO_1001780076115028830078701 | 10017800761150288300787015662508459859443655370968570117514910960935382739646982079837409829460050866395329599083688691631181762527184249710132057866420342 | 2025-04-16T16:08:30 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.047348 | null | null | null | null | null | CO_6748536910633860269423246 | 6748536910633860269423246958933878922628404214509460195067018526039166484068658440799890467518760508927564306814273820631916169552845378737479261094918581 | 12510657739772361154980928855916786143234712743018869830035693615237214587905160842248474673329592553364225461022548962862614098955133358991269344706708899 | [
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[
0,
0,
0
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[
3.806585,
3.806585,
3.806585
]
] | [
true,
true,
true
] | BaThZn2 | BaThZn2 | A2BC | [
"Ba",
"Th",
"Zn"
] | [
0.25,
0.25,
0.5
] | [
56,
90,
30,
30
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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PO_1001707539351369062746366 | 1001707539351369062746366724000660640306248332919945363219271555049645332036620817626222470176440837816952450171574106736544344310680077942211692729444241 | 2025-04-16T16:51:12 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.015199 | null | null | null | null | null | CO_8197481285583820082476496 | 8197481285583820082476496083819495094684590576722063879272240128527544785980883701767284843812913498806781216703724002299865484930918211479557328025796265 | 3382945715429015481419187954848108487598524543140149164270006329948955661896262580027164006947745489480445827018914079934231881368551691163557237282770942 | [
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[
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1.4656745
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[
4.3970234999999995,
4.3970234999999995,
4.3970234999999995
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] | [
true,
true,
true
] | Co2GeRh | Co2GeRh | A2BC | [
"Co",
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"Rh"
] | [
0.5,
0.25,
0.25
] | [
27,
27,
32,
45
] | 4 | 3 | 0 | [
0,
0,
0
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PO_1001709866208524164983684 | 10017098662085241649836845530469761416775324423072893861846344508357124907796591497754841381177796027855966543113718427186594026125625745849515671315954755 | 2025-04-16T18:42:23 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.045662 | null | null | null | null | null | CO_4489800450032681626431303 | 4489800450032681626431303778944733693294236039494148924132673780932506227216777338980086562339590221597098380086124294097321658468231021202775739001303409 | 7129746236033432626426704706206011271493334757628513547824570295176825083524977807674895326148467795412752026288652499227980385072839996671789414564298325 | [
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[
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[
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[
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4.801932696,
4.801932696
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[
1.600644232,
1.600644232,
1.600644232
]
] | [
true,
true,
true
] | IrRe2Zr | IrRe2Zr | A2BC | [
"Ir",
"Re",
"Zr"
] | [
0.25,
0.5,
0.25
] | [
77,
75,
75,
40
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0704/MD_5312895544710325400600704.json | null | {"_oqmd_entry_id": 1140745, "_oqmd_stability": 0.50080812149721, "hash": "5312895544710325400600704960678940919669980848715312784648938272797263585177047281634591056650335939171378128002771423656111152261841183141370366714097025", "id": "MD_5312895544710325400600704"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001772871964079998414840 | 1001772871964079998414840659974403130967309302816111096943088382888485804493094015069897418076468324845637526078043496459410052478997457592335596322603258 | 2025-04-17T18:06:06 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -1.108363 | null | null | null | null | null | CO_2219464633230970927873531 | 2219464633230970927873531502652242761456786733939163415459337484338160107412675491595051946839498532925835680161823462824768919468121929368201889471393774 | 690288627667611384491458039802149931074140842168653015228016441666964675676939482474894283343492272797211450932900486348221902809381617496971059820140286 | [
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0
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[
0,
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5.239728
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[
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[
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2.8084942080000004
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[
3.5128845,
1.1709615,
0
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[
1.1709615,
3... | [
true,
true,
true
] | Cd2N2O2U2 | CdNOU | ABCD | [
"Cd",
"N",
"O",
"U"
] | [
0.25,
0.25,
0.25,
0.25
] | [
48,
48,
7,
7,
8,
8,
92,
92
] | 8 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_693202"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0051/MD_5521427322524367155960051.json | null | {"_oqmd_entry_id": 1059616, "_oqmd_stability": 0.884570566246985, "hash": "552142732252436715596005183486652127813086801257773659350386247198910714356791759532208846148130453944809553747820174419332176328155743610862704731496673", "id": "MD_5521427322524367155960051"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001708983536861689877439 | 10017089835368616898774393432005524608172810878813514609419827788337851917194449873885834752792825062836668317157998178154219561260032622981875626133264822 | 2025-04-16T18:47:34 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 1.250443 | null | null | null | null | null | CO_1003790839234942758745004 | 10037908392349427587450043450926754685840421546224548695067241124334913122557420439387347996752580853939217425999989611325501879377812332518328675118895876 | 4697569039735621980105889031090754746943068517299157295917651014614573830496934420953700483936670383545819267317541251779283525799173239520064423834424990 | [
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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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[
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1.676781,
1.676781
],
[
5.030343,
5.030343,
5.030343
]
] | [
true,
true,
true
] | KNiY | KNiY | ABC | [
"K",
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"Y"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
19,
28,
39
] | 3 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9676/MD_1238127376192340225279676.json | null | {"_oqmd_entry_id": 901892, "_oqmd_stability": 1.54741864398488, "hash": "12381273761923402252796769252608052754280148406760021212617117136908897599614840492081326712185254143656413385279969897103943481662981625504638365017831071", "id": "MD_1238127376192340225279676"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001797421061684525029680 | 1001797421061684525029680488071297550158147796419515024893923206805092389344535118244441544601828423017800218640836613342965509569621419497899656728976242 | 2025-04-16T21:12:08 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.246441 | null | null | null | null | null | CO_8209800678952975868536128 | 8209800678952975868536128622612759438028029372969050121908587718450897521734116745800058576922262220909770108414272170787889598408532979444379785196821533 | 5362013177071085919795476587529379428208829183623337300265814167911061544164665071786090300037973490681489217548658416209723700907461274608741565811265886 | [
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[
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[
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[
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2.0941695
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[
6.2825085000000005,
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6.2825085000000005
]
] | [
true,
true,
true
] | Gd2PmSr | Gd2PmSr | A2BC | [
"Gd",
"Pm",
"Sr"
] | [
0.5,
0.25,
0.25
] | [
64,
64,
61,
38
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0473/MD_1260887796226726050160473.json | null | {"_oqmd_entry_id": 549692, "_oqmd_stability": 0.246441223125, "hash": "12608877962267260501604731351638402632773388537315188409088159995446934244150982666959546367196114964840824808957077540243707904466257374296549114075412223", "id": "MD_1260887796226726050160473"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001763841952486086659261 | 10017638419524860866592618807910835937101401144066706565623151398404496681992138482096147926707708782771893800595445795735925898185011350823604460908155924 | 2025-04-16T22:04:30 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.071556 | null | null | null | null | null | CO_4515735059127354397790392 | 4515735059127354397790392747817216228296500418657706048980308171727399720170252961548643478331705289401448820217736200170541574012963396569409567429398059 | 6096148925829804929299800715176512387424308354731210739689266553612332725363221048773882084912731165900942727600329186999534218023408909379040263453685016 | [
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[
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] | [
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[
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[
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3.3912589485,
2.425801538412
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[
3.662871977911,
1.1304196495,... | [
true,
true,
true
] | Na12Pd10 | Na6Pd5 | A6B5 | [
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"Pd"
] | [
0.5454545454545454,
0.45454545454545453
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11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46
] | 22 | 2 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/1246/MD_4200214521326498198421246.json | null | {"_oqmd_entry_id": 1340989, "_oqmd_stability": 0.2655211904341028, "hash": "4200214521326498198421246870601251646710923743954274642185353636859167946271827601774097335865172201841307871739919948557166606700310587227536278724631704", "id": "MD_4200214521326498198421246"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001796493742871049850657 | 1001796493742871049850657191399430277217048271152353242648778541746375418311476472676904085234384656087988196040550895715686908289900559219857190284606719 | 2025-04-16T17:16:57 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 1.264958 | null | null | null | null | null | CO_8777342192017193731235032 | 8777342192017193731235032572075914255952698775697802753972292569820888367705691094562881816845917520440575728264105964691270273155691830256110388681913047 | 4950120389362880542031231246409502601556033745847795252364978370150825195114462864386631790663413731644223592256271384374867531625143072026972282766239523 | [
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[
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[
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] | [
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[
0,
0,
0
],
[
4.8194565,
4.8194565,
4.8194565
]
] | [
true,
true,
true
] | BaBeOs | BaBeOs | ABC | [
"Ba",
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"Os"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
56,
4,
76
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_679188"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4153/MD_1144090174474495487254153.json | null | {"_oqmd_entry_id": 932140, "_oqmd_stability": 1.40162559333333, "hash": "11440901744744954872541535329392929979724032864322335331277427784193910340374658451641320006211604024362229941765160541764384090005526310318451752789583472", "id": "MD_1144090174474495487254153"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001751506805899618221656 | 10017515068058996182216562235391444029778696770099722259976149063362608962234010629332816922542731207682266558579203830676878258372805161098126989282451800 | 2025-04-16T20:25:42 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.15426 | null | null | null | null | null | CO_1061173398784874267802600 | 10611733987848742678026005051747024422951502535215123612405685239427874435655848324213607519771735398785829496546208947020002417652665433316803205887139239 | 2121491777583304963530996048745526292945712372293178689640651439925248780617624452544604102012784072186312162201704174294042384996345950079856724274084931 | [
[
4.957728,
-2.86222,
0
],
[
0.00011,
5.724631,
0
],
[
0,
0,
4.771382
]
] | [
[
0,
0,
0
],
[
4.13972103,
-1.445389585,
2.385691
],
[
1.6360683900000002,
0.00003151499999980886,
2.385691
],
[
4.1397765799999995,
1.44554907,
2.385691
],
[
2.5185276830000003,
-1.3572614961,
0
],
[
4.873500744,
0.002956191999... | [
true,
true,
true
] | Ta4Zn4 | TaZn | AB | [
"Ta",
"Zn"
] | [
0.5,
0.5
] | [
73,
73,
73,
73,
30,
30,
30,
30
] | 8 | 2 | 0 | [
0,
0,
0
] | [
"all_oqmd_343749"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4159/MD_1254615465359151646074159.json | null | {"_oqmd_entry_id": 760344, "_oqmd_stability": 0.23460602905218214, "hash": "12546154653591516460741590252797090038268824831851206632899943947072075293850604471336177968296359450983164344122952622401560403689702774068308496680867299", "id": "MD_1254615465359151646074159"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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