property_id string | property_hash string | last_modified timestamp[us] | dataset_id string | multiplicity int32 | software string | method string | energy float64 | atomic_forces list | cauchy_stress list | cauchy_stress_volume_normalized bool | electronic_band_gap float64 | electronic_band_gap_type string | formation_energy float64 | adsorption_energy float64 | atomization_energy float64 | max_force_norm float64 | mean_force_norm float64 | energy_above_hull float64 | configuration_id string | configuration_hash string | structure_hash string | cell list | positions list | pbc list | chemical_formula_hill string | chemical_formula_reduced string | chemical_formula_anonymous string | elements list | elements_ratios list | atomic_numbers list | nsites int32 | nelements int32 | nperiodic_dimensions int32 | dimension_types list | names list | labels list | property_metadata_path string | configuration_metadata_path string | hash string | configuration_metadata string | property_metadata string |
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true,
true,
true
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0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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42,
94,
44
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PO_1000983393216697844387748 | 10009833932166978443877487319379940286907310331033243307032970985817174493593442666579015567404514732922647783913010330400781153614355064176932439464705047 | 2025-04-16T21:37:22 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.101946 | null | null | null | null | null | CO_1243737265681686173951201 | 12437372656816861739512018134145296567872438219497334886106344884989681542639438456604834471723588548968188038983593103085764503932764169638808300234374237 | 4954629872942930702818108906565376405197704033980911450527116757480371764117468963046612985013260054140852935585378074049469115508146341890231470569270584 | [
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[
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true,
true,
true
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"La",
"Ru",
"Yb"
] | [
0.5,
0.25,
0.25
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57,
57,
44,
70
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PO_1000931566756851759700715 | 10009315667568517597007158680843671328837469964629303571240835243762510260412648486810698749524677393596934058552226153796356257946098688351351847982753861 | 2025-04-16T18:32:22 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 1.172919 | null | null | null | null | null | CO_7284154428688246675800786 | 728415442868824667580078633384171038414969336003131732935814025878538558095431704313721231148150303560072414799278569966028160599764917447426323211540555 | 8849545217229115423269678536064925226135424026654455675398911000748233577304960470988260400665074227573160759926157881880268560031117837863357336620567240 | [
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[
0,
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0
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[
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true,
true,
true
] | BaBeCoNb | BaBeCoNb | ABCD | [
"Ba",
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"Co",
"Nb"
] | [
0.25,
0.25,
0.25,
0.25
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56,
4,
27,
41
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0,
0,
0
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[
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1.7000000... | [
true,
true,
true
] | Ce2Co6Pu8 | CeCo3Pu4 | A4B3C | [
"Ce",
"Co",
"Pu"
] | [
0.125,
0.375,
0.5
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58,
58,
27,
27,
27,
27,
27,
27,
94,
94,
94,
94,
94,
94,
94,
94
] | 16 | 3 | 0 | [
0,
0,
0
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7774/MD_1312662378613137516097774.json | null | {"_oqmd_entry_id": 88063, "_oqmd_stability": 0.1585307753125, "hash": "13126623786131375160977748232370016416407715936127672806381697244024374868603405194371486940039361477181752216697469165875473441535669700802939035327591267", "id": "MD_1312662378613137516097774"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000911599043921193149436 | 10009115990439211931494364558316845592039281831195107422827401278970861274256037875528552155969225452032597275766298324120510624565674893659162755388284123 | 2025-04-16T20:58:52 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.003309 | null | null | null | null | null | CO_1095468053275059678907015 | 10954680532750596789070157107805788586623617983986737413347217603959419636446200644925066410234138073154442661612088947124687745401083375577026191895705620 | 13223535544564639104447325505716400689698721544320701955484455313048573981888801233609919115092770210617287222638741070849534367159613747092354537051271050 | [
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[
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[
0,
0,
0
],
[
3.805461,
3.805461,
3.805461
]
] | [
true,
true,
true
] | GeLuTh2 | GeLuTh2 | A2BC | [
"Ge",
"Lu",
"Th"
] | [
0.25,
0.25,
0.5
] | [
32,
71,
90,
90
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_163170"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/8557/MD_1445064179580166592198557.json | null | {"_oqmd_entry_id": 479897, "_oqmd_stability": 0.49504553225, "hash": "1445064179580166592198557957616092260260880775553760817815382153976730069089562161644908387165372501759793807358319154063828385261518121907904084092720214", "id": "MD_1445064179580166592198557"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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[
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[
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] | [
true,
true,
true
] | NiSrTe2 | NiSrTe2 | A2BC | [
"Ni",
"Sr",
"Te"
] | [
0.25,
0.25,
0.5
] | [
28,
38,
52,
52
] | 4 | 3 | 0 | [
0,
0,
0
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9702/MD_1173768334737280832059702.json | null | {"_oqmd_entry_id": 398705, "_oqmd_stability": 0.7331239700835158, "hash": "1173768334737280832059702666751135851893406404151406201962936851090098477906240451919252846684138617549612539846376619813700200947234406223945599192020538", "id": "MD_1173768334737280832059702"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000979190933187721951112 | 10009791909331877219511123385323599994327864988950033245787466894883255882861239665016471103679181164518298413608763541039677554639101670585308907809482678 | 2025-04-16T17:45:47 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.698092 | null | null | null | null | null | CO_4830110049325469711121486 | 4830110049325469711121486823480806268099921102914320739234465326711408452866381436719329370914294131158917346466395555447224235923399512593167595192076724 | 12753345439468982709127166569754923877304425776864587278384315031726567082704062504198960883986504953515738786322503459707011790080550737044306645113067084 | [
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[
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[
3.493489,
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] | [
true,
true,
true
] | NbSrTi2 | NbSrTi2 | A2BC | [
"Nb",
"Sr",
"Ti"
] | [
0.25,
0.25,
0.5
] | [
41,
38,
22,
22
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0,
0
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[
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] | [
true,
true,
true
] | IrTl2Zn | IrTl2Zn | A2BC | [
"Ir",
"Tl",
"Zn"
] | [
0.25,
0.5,
0.25
] | [
77,
81,
81,
30
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0,
0
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[
... | [
true,
true,
true
] | B4RuTa | B4RuTa | A4BC | [
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] | [
0.6666666666666666,
0.16666666666666666,
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73
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] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/8601/MD_1081093416298250181718601.json | null | {"_oqmd_entry_id": 1456961, "_oqmd_stability": 0.19746420999999947, "hash": "10810934162982501817186015645593335035447351746631339257798484248520175106896999764353191529468168792046940299961410676736523906994671154889142145699233559", "id": "MD_1081093416298250181718601"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000923751882186380031308 | 1000923751882186380031308627990611679706640143176389671328864881330520002733414754758033648850458690118282434944870194964403608517848429791823209743700836 | 2025-04-16T15:45:50 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.027564 | null | null | null | null | null | CO_1282553452503883852136733 | 12825534525038838521367334167757984460167713439735376003776241696603193701814689855503811285444731656388539679708883692240781834218473089799979168561127952 | 3948837912141426063357536409198399854833821822187116068423019702016129469256075137434737805540478870687877906337580752630127495457580988856250759135960140 | [
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0
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[
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3.383545217,
0
],
[
0,
0,
5.690543021
]
] | [
[
0,
0,
0
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[
0,
0,
2.8452715105
],
[
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2.2568246597390003,
1.42263575525
],
[
1.955444232742,
1.126720557261,
4.26790726575
]
] | [
true,
true,
true
] | Cl2Hf2 | ClHf | AB | [
"Cl",
"Hf"
] | [
0.5,
0.5
] | [
17,
17,
72,
72
] | 4 | 2 | 0 | [
0,
0,
0
] | [
"all_oqmd_581903"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/1076/MD_6861810270151402708021076.json | null | {"_oqmd_entry_id": 1243795, "_oqmd_stability": 1.2993465628125003, "hash": "6861810270151402708021076116668662028122839286377458726461209230087680789353122630156779824180045328584923145948474686416929594413184671643778630374524324", "id": "MD_6861810270151402708021076"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000975651128650449713956 | 10009756511286504497139566883309177267075056391507529194424081327165310125646162598242815829328331132586793771019826138689672200346211247926234084713374129 | 2025-04-16T17:41:42 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.320443 | null | null | null | null | null | CO_4086454700126658150744490 | 4086454700126658150744490133082963006216259372845829071587817951811882105196518341828415017597989516878919653555586834882733963317364351412492702718443310 | 6115069069441364896252993308751749480859809901926719907959478971887108062707344277820467730645927327347915540359669635536394564806313942938990929033707717 | [
[
0,
3.202221,
3.202221
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[
3.202221,
0,
3.202221
],
[
3.202221,
3.202221,
0
]
] | [
[
1.6011105,
1.6011105,
1.6011105
],
[
0,
0,
0
],
[
4.8033315000000005,
4.8033315000000005,
4.8033315000000005
]
] | [
true,
true,
true
] | HfSbTc | HfSbTc | ABC | [
"Hf",
"Sb",
"Tc"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
72,
51,
43
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_674071"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9285/MD_2145529692441608250339285.json | null | {"_oqmd_entry_id": 916964, "_oqmd_stability": 0.719207376483438, "hash": "2145529692441608250339285564590603416710259920331960982155403004816929132852322739991025515752409519219828402754433127882970413744017637150013650179543466", "id": "MD_2145529692441608250339285"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000980932388174722653847 | 10009809323881747226538479849012258398007662071977509415949001838834497504921040841790861215691082412414387217407873485858167464990725213006963605668456932 | 2025-04-16T16:50:16 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.306209 | null | null | null | null | null | CO_8070408444718268528230900 | 8070408444718268528230900565804410336691535511326921581597271394208961171426895490844366313709007184796818488249517900215064908435497243710923943848065369 | 11294342576337342821903763426613866465826811820574064131147231406468151453647330062547210861819269426836312630366456899887969085254784181539867396574712725 | [
[
3.389811,
0,
0
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[
0,
3.389811,
0
],
[
0,
0,
3.389811
]
] | [
[
0,
0,
0
],
[
1.6949055,
1.6949055,
1.6949055
]
] | [
true,
true,
true
] | CuLu | CuLu | AB | [
"Cu",
"Lu"
] | [
0.5,
0.5
] | [
29,
71
] | 2 | 2 | 0 | [
0,
0,
0
] | [
"all_oqmd_62335"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4909/MD_2858559666710630109294909.json | null | {"_oqmd_entry_id": 306835, "_oqmd_stability": 0.0, "hash": "2858559666710630109294909153266290881659269474922296305159135162068927317994438062375081972820998563742305929671658244380774594647650525360429585934875429", "id": "MD_2858559666710630109294909"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000905400597663114467837 | 10009054005976631144678379982901339217916465673627015153415091890757668607785364536767227517127739663467206657252994224088162826355634573137876283032160015 | 2025-04-16T15:44:21 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.32279 | null | null | null | null | null | CO_4651893085940292315439105 | 4651893085940292315439105698464768503531496372596530153731469896112816355054476399419117039546432505676192958104516609486350898574298993990568786855380191 | 9974947164127824858585801776655560055095964407770485774210881013725945627059233807928685117726197900862682903209367017456409335199850022285049212279095175 | [
[
0,
3.518156,
3.518156
],
[
3.518156,
0,
3.518156
],
[
3.518156,
3.518156,
0
]
] | [
[
0,
0,
0
],
[
1.759078,
1.759078,
1.759078
],
[
5.277234,
5.277234,
5.277234
]
] | [
true,
true,
true
] | NaPrSb | NaPrSb | ABC | [
"Na",
"Pr",
"Sb"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
11,
59,
51
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_409744"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2557/MD_7773058820704980136412557.json | null | {"_oqmd_entry_id": 569920, "_oqmd_stability": 0.477024895862015, "hash": "7773058820704980136412557453975231821455014458235076000775382112756570099429587344416635764827114717067617387665139932156687271515287890811683431589311092", "id": "MD_7773058820704980136412557"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000946841058195663440993 | 10009468410581956634409934996829038002921765501269241626604583347001186955794605156082914114237592692434223277437795862857806146531687760841455534457898201 | 2025-04-16T19:05:33 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.694704 | null | null | null | null | null | CO_1252615391882107620418800 | 12526153918821076204188006002805243724750942912799627423423211630062121280460692145407761223188888030451186325737298317404657015852586350531648273996457690 | 3799570629102270413207745882119423582941080672861231528958703567739854373756703475260790349374845928159000901256313040935601542731319341324415022806542588 | [
[
7.264248,
0,
0
],
[
0,
7.264248,
0
],
[
3.632124,
3.632124,
5.1366
]
] | [
[
1.816062,
1.816062,
0
],
[
5.448186,
1.816062,
0
],
[
1.816062,
5.448186,
0
],
[
5.448186,
5.448186,
0
],
[
7.264248,
7.264248,
2.5683
],
[
3.632124,
3.632124,
2.5683
],
[
0,
0,
0
],
[
3.632124,
... | [
true,
true,
true
] | Br6Cu2Tl2 | Br3CuTl | A3BC | [
"Br",
"Cu",
"Tl"
] | [
0.6,
0.2,
0.2
] | [
35,
35,
35,
35,
35,
35,
29,
29,
81,
81
] | 10 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_587424"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9123/MD_7436082905957692619989123.json | null | {"_oqmd_entry_id": 1428523, "_oqmd_stability": 0.02669264100000035, "hash": "743608290595769261998912362964346126646984845247742168118371939259269444466391823261776766801843480619024465142665390884495236290853588790189549862835899", "id": "MD_7436082905957692619989123"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000982649334634224036857 | 10009826493346342240368578241436116581704094782971614620519118851557095162020832748547905192195057136961020840233075544046381222027558444982789013039155464 | 2025-04-17T18:37:27 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.328133 | null | null | null | null | null | CO_2251376822190401451518380 | 2251376822190401451518380033017118888208938720744547594581609124750306870524700343818339528772788581770841576640298991277232658543972297805024027807567783 | 9664803369794944808642268477050189889752890247050037063728210896237351720089931403303088393302704769027964991978190893372572963719295075355637055800116652 | [
[
3.109925,
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0
],
[
-3.109925,
0,
-3.109925
],
[
3.109925,
3.109925,
0
]
] | [
[
0,
0,
0
],
[
3.109925,
0,
0
],
[
1.5549624999999998,
-1.5549624999999998,
-1.5549625
],
[
1.5549625,
1.5549625,
-1.5549625
]
] | [
true,
true,
true
] | GeMnPd2 | GeMnPd2 | A2BC | [
"Ge",
"Mn",
"Pd"
] | [
0.25,
0.25,
0.5
] | [
32,
25,
46,
46
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_247395"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6593/MD_9567816166261601629156593.json | null | {"_oqmd_entry_id": 647270, "_oqmd_stability": 0.07870443238505925, "hash": "9567816166261601629156593324391315024102462948169922855965571204559688789364233027177017204174768037463855083995861498345491218302789884424594631157076437", "id": "MD_9567816166261601629156593"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000933657585234752696543 | 10009336575852347526965437441439153334336615014397156400882938702338470534379614850292936194854364860561856174800212782943376187999333713941834357206279224 | 2025-04-16T21:51:46 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.558455 | null | null | null | null | null | CO_4328748624904250733224964 | 4328748624904250733224964785575591016276673346747196536573250952124403677761037355335390952467196677641311546919972622555366945373229603888256059983545922 | 10728729818014486158802007990657251969019360056273968505269386513991910572313237968827248278258926867465131394983987582528515942021893208519655548523846789 | [
[
0,
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3.017828
],
[
3.017828,
0,
3.017828
],
[
3.017828,
3.017828,
0
]
] | [
[
1.508914,
1.508914,
1.508914
],
[
4.5267420000000005,
4.5267420000000005,
4.5267420000000005
],
[
3.017828,
3.017828,
3.017828
],
[
0,
0,
0
]
] | [
true,
true,
true
] | BeFeMnPb | BeFeMnPb | ABCD | [
"Be",
"Fe",
"Mn",
"Pb"
] | [
0.25,
0.25,
0.25,
0.25
] | [
4,
26,
25,
82
] | 4 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_290412"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0573/MD_1011857125060429640820573.json | null | {"_oqmd_entry_id": 701823, "_oqmd_stability": 0.661582385863015, "hash": "10118571250604296408205730793957480431121499960342546467072155537765986028368355125144489284849415031443580917030281771070521125617276137846143453827952385", "id": "MD_1011857125060429640820573"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000919615525497991797318 | 10009196155254979917973187708227455037122602404127380659614843418465174535349564194196223166523078657871060403834009143206168566831929206999002004113727930 | 2025-04-16T17:10:53 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.62 | unknown | -1.592081 | null | null | null | null | null | CO_1252928123894329032609778 | 12529281238943290326097781337729270449695848437391213965457804842626514574524301074575806254988829182921017060009361995398657595997337089828916543518252749 | 11114743115918563108184560636530548552632576531891553465877487278056210201336301171099021653651108168754766417363009892736961130301369350681632644986019713 | [
[
2.133661092,
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0
],
[
2.133661092,
8.056363093,
0
],
[
0,
0,
11.196716174
]
] | [
[
2.133661092,
-4.157083355988,
2.7991790435
],
[
2.133661092,
4.157083355988,
8.3975371305
],
[
2.133661092,
7.460192224118,
2.7991790435
],
[
2.133661092,
-7.460192224118,
8.3975371305
],
[
2.133661092,
6.1872868554239995,
0.6035030017786... | [
true,
true,
true
] | Cs2Mg2Se6Y2 | CsMgSe3Y | A3BCD | [
"Cs",
"Mg",
"Se",
"Y"
] | [
0.16666666666666666,
0.16666666666666666,
0.5,
0.16666666666666666
] | [
55,
55,
12,
12,
34,
34,
34,
34,
34,
34,
39,
39
] | 12 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_518162"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9850/MD_4649072583477580868499850.json | null | {"_oqmd_entry_id": 1296914, "_oqmd_stability": 0.0, "hash": "4649072583477580868499850275043311992317620878439985865521708155506848784867361359903936320541725721579707422831263699838001915478464367867557952267555514", "id": "MD_4649072583477580868499850"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000950328800045500382054 | 10009503288000455003820542080192033460367275056027220622615583436768902072030369718896049457889019183407755209740776298123843831920169292928973393459311036 | 2025-04-16T21:38:17 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.077743 | null | null | null | null | null | CO_5242392559003296901372887 | 5242392559003296901372887292667967825065422925759804767178712954993059400378235790353048212426995304189527101672565899649936579896440868299508681203990396 | 9483215471321780815051818404846944859368592161745021031085948754852341204301116625544456615236509961401555493187804992327743021223928073750062962313438622 | [
[
0,
3.614012,
3.614012
],
[
3.614012,
0,
3.614012
],
[
3.614012,
3.614012,
0
]
] | [
[
0,
0,
0
],
[
3.614012,
3.614012,
3.614012
],
[
1.807006,
1.807006,
1.807006
],
[
5.421018,
5.421018,
5.421018
]
] | [
true,
true,
true
] | Hg2NdSi | Hg2NdSi | A2BC | [
"Hg",
"Nd",
"Si"
] | [
0.5,
0.25,
0.25
] | [
80,
80,
60,
14
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_190672"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2372/MD_6923085285342083606622372.json | null | {"_oqmd_entry_id": 513552, "_oqmd_stability": 0.319872970004217, "hash": "6923085285342083606622372515202858415413058468780622023095867209707853653711465696060205072405876960164325556661064924016981403166545667100472624966949891", "id": "MD_6923085285342083606622372"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000930121970119300905427 | 1000930121970119300905427976045955310994653534266147730174829983210384091721024247862005148757613888925210904824350453347381558106373348789346931014270603 | 2025-04-16T18:18:40 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.05702 | null | null | null | null | null | CO_5703472832499783257142613 | 5703472832499783257142613105235101460945198564447815668470225192957015002296138780889360210692359395722870090930225104317780008664917635164805345293883684 | 1868845356239308109470930546728265721737021249673989631935693104475916010016638832343718360075368719067986000162586680216386750938435905321116670330157827 | [
[
0,
3.192951,
3.192951
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[
3.192951,
0,
3.192951
],
[
3.192951,
3.192951,
0
]
] | [
[
0,
0,
0
],
[
4.789426499999999,
4.789426499999999,
4.789426499999999
],
[
1.5964755,
1.5964755,
1.5964755
],
[
3.192951,
3.192951,
3.192951
]
] | [
true,
true,
true
] | AsCrLiMg | AsCrLiMg | ABCD | [
"As",
"Cr",
"Li",
"Mg"
] | [
0.25,
0.25,
0.25,
0.25
] | [
33,
24,
3,
12
] | 4 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_286831"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7224/MD_7555825685123468298877224.json | null | {"_oqmd_entry_id": 698293, "_oqmd_stability": 0.509642471662186, "hash": "7555825685123468298877224835319503075119324935385255881987817235425522757549836528338069105522876004246139710213818292842667425816891328676531492372706640", "id": "MD_7555825685123468298877224"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000958860258387992120616 | 10009588602583879921206168792908265481836638035271419105822111259423734759477839298338841253628405927736479157385168798826443311809548094349444601612910556 | 2025-04-16T15:42:57 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 1.49186 | null | null | null | null | null | CO_4784090817334835979689780 | 4784090817334835979689780821819814388520810587333738778927105849103203211121872185936350813461658125380603804967177337458942348831783084545011485477162709 | 3745107410501894051745321633589948069163776100856074318926704148478478112249038626287288045370110740887633575634160930125464982512356116050792653867122394 | [
[
0,
3.530104,
3.530104
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[
3.530104,
0,
3.530104
],
[
3.530104,
3.530104,
0
]
] | [
[
0,
0,
0
],
[
1.765052,
1.765052,
1.765052
]
] | [
true,
true,
true
] | HoNa | HoNa | AB | [
"Ho",
"Na"
] | [
0.5,
0.5
] | [
67,
11
] | 2 | 2 | 0 | [
0,
0,
0
] | [
"all_oqmd_754893"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/5245/MD_1002206324489568673145245.json | null | {"_oqmd_entry_id": 1222896, "_oqmd_stability": 1.49186016290751, "hash": "1002206324489568673145245678754574095710527701892181688750574420849496146322984247946788761916122675535040897668965401213239427414937524333179212404688664", "id": "MD_1002206324489568673145245"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000959512058938982108095 | 10009595120589389821080958574483639273020759817096218853806018539777065184040870542119640663744909290613806894069842926914077197443204908300568592861356900 | 2025-04-16T20:04:36 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.719814 | null | null | null | null | null | CO_9716684223299194212902426 | 9716684223299194212902426363591851054588368467430117500974254143604104237583656036299377029873942561225351636932458026106288684768227103137129419154971374 | 10334857464635793076699851387691506951172560618220299367931946775007001150575694941821143613412208184331302262106968166894339546172050176944795637176018074 | [
[
0,
3.612398,
3.612398
],
[
3.612398,
0,
3.612398
],
[
3.612398,
3.612398,
0
]
] | [
[
1.806199,
1.806199,
1.806199
],
[
5.418597,
5.418597,
5.418597
],
[
0,
0,
0
],
[
3.612398,
3.612398,
3.612398
]
] | [
true,
true,
true
] | NbTlU2 | NbTlU2 | A2BC | [
"Nb",
"Tl",
"U"
] | [
0.25,
0.25,
0.5
] | [
41,
81,
92,
92
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_48524"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9908/MD_1075145009602721278119908.json | null | {"_oqmd_entry_id": 440030, "_oqmd_stability": 0.71981409875, "hash": "10751450096027212781199089604035731691131728511149218388296667680720854871627849175382884606932466558464422133890252535243659718838188141441726131735884516", "id": "MD_1075145009602721278119908"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000951212471015140271399 | 10009512124710151402713990620627253134411097689389187426018248931164057707019356803608033332506920013334048627392018433288504977128717964367014620375763476 | 2025-04-16T18:44:52 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.011117 | null | null | null | null | null | CO_1124006835613312778730166 | 11240068356133127787301667475613979039177871991634424527526718597223700019102515100090483506496270407151830032835007059203677565094342669909292988744747625 | 3878169975206329869668263743660748294547990796903762448310347049726901384807472133578652118616774163300222693894590589548758519272395225528047800842852689 | [
[
0,
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3.207414
],
[
3.207414,
0,
3.207414
],
[
3.207414,
3.207414,
0
]
] | [
[
0,
0,
0
],
[
4.811121,
4.811121,
4.811121
],
[
3.207414,
3.207414,
3.207414
],
[
1.603707,
1.603707,
1.603707
]
] | [
true,
true,
true
] | BeCuScSn | BeCuScSn | ABCD | [
"Be",
"Cu",
"Sc",
"Sn"
] | [
0.25,
0.25,
0.25,
0.25
] | [
4,
29,
21,
50
] | 4 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_310499"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/8834/MD_1164316030621362383348834.json | null | {"_oqmd_entry_id": 721895, "_oqmd_stability": 0.460378893267918, "hash": "1164316030621362383348834327803397330326146586249620549183295608262182321009073897868706844763878364826499162598983706103743247611263425901434723830341408", "id": "MD_1164316030621362383348834"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000940786241649100073526 | 10009407862416491000735268301504975871379436855029423519267278491061920619731627685369965055643166672991609471733045851330809958535102272259594896649750214 | 2025-04-16T17:31:22 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -3.310694 | null | null | null | null | null | CO_1052549379872332518349344 | 10525493798723325183493449678444005984167983320017780645662887641533960032798906560125945680364493082741373666423379429108592541490661826826941075694783317 | 9598506805294063955579266541654584600013098675837396393079504164447460752971296693479486068016886316476341315768380943432496212909758363825460107578258437 | [
[
4.973963,
0,
0
],
[
0,
5.799283,
0
],
[
-0.89377,
0,
7.351208
]
] | [
[
0.7915574420000001,
3.914516025,
1.426134352
],
[
3.288635558,
1.014874525,
5.925073648000001
],
[
2.292693593,
1.27584226,
0.16613730079999997
],
[
4.5738494130000005,
2.041347616,
0.6726355319999999
],
[
4.304185546000001,
5.68329734,
1... | [
true,
true,
true
] | Eu2F14Mo2 | EuF7Mo | A7BC | [
"Eu",
"F",
"Mo"
] | [
0.1111111111111111,
0.7777777777777778,
0.1111111111111111
] | [
63,
63,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
42,
42
] | 18 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_505301"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2871/MD_1274004986869449759162871.json | null | {"_oqmd_entry_id": 1285861, "_oqmd_stability": 0.0, "hash": "12740049868694497591628715071883955193166098912807786194039038696443352558334226040466278169386524293832078244306396340044619730338389744788869581595310943", "id": "MD_1274004986869449759162871"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000989578036457191106431 | 10009895780364571911064316361243705701914331017695121487088371567961333868251466726832871812416008284698448881244731639258921047418678987072805404682959436 | 2025-04-16T17:38:31 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.606397 | null | null | null | null | null | CO_8731534914896383556054669 | 8731534914896383556054669624666505289019340307444568284784114030441945413093007602698195638564857649245098137154506695146616643813314446855791255577497561 | 1236627071734371605601393555158412339498488784319497343102098600431074652429047362048035605687640573528622245217723341601630233676214815029145528469820852 | [
[
-0.00001,
3.053813,
3.053813
],
[
3.053813,
-0.00001,
3.053813
],
[
3.053813,
3.053813,
-0.00001
]
] | [
[
3.053808,
3.053808,
3.053808
],
[
4.580712,
4.580712,
4.580712
],
[
0,
0,
0
],
[
1.526904,
1.526904,
1.526904
]
] | [
true,
true,
true
] | CrFeMnPb | CrFeMnPb | ABCD | [
"Cr",
"Fe",
"Mn",
"Pb"
] | [
0.25,
0.25,
0.25,
0.25
] | [
24,
26,
25,
82
] | 4 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_312393"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9306/MD_6921131917700240761679306.json | null | {"_oqmd_entry_id": 723493, "_oqmd_stability": 0.606397031551724, "hash": "6921131917700240761679306713142752960225445371910344437448105426970697957545018730874581674633827425841510351373791471521860542080402282604178254897473568", "id": "MD_6921131917700240761679306"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000913201760174938298410 | 10009132017601749382984109078738317222390798965147028269228892186228789452473245248979419700120189922371340489544038705107909344066837270910089189566671491 | 2025-04-16T16:01:25 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.883 | unknown | -0.980999 | null | null | null | null | null | CO_3392442259089632364380130 | 3392442259089632364380130317578776908285921269182787185427202011823416008201851071138599269062720390669437861463738418506045192927808668867595549590080357 | 5630870345195611428070921496080861750764039434422688046260434750525040981245408784255658978951144380788177943712254303574190538755545418177486893925811713 | [
[
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0,
0
],
[
0,
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0
],
[
2.270949,
2.270949,
3.599644
]
] | [
[
-2.270949,
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0
],
[
-2.270949,
0,
1.799822
],
[
-0.776664558,
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0.899911
],
[
-3.765233442,
-3.4064235,
0.899911
],
[
-1.1354745,
1.4961012012,
2.699733
],
[
1.1354745,
-1.4942844419999997,
2.699733
],... | [
true,
true,
true
] | Li2N4P2 | LiN2P | A2BC | [
"Li",
"N",
"P"
] | [
0.25,
0.5,
0.25
] | [
3,
3,
7,
7,
7,
7,
15,
15
] | 8 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_73512"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/8351/MD_5583761204367231182938351.json | null | {"_oqmd_entry_id": 6218, "_oqmd_stability": 0.0, "hash": "5583761204367231182938351004339417096756883361884876744908973622662306442393973363389270527872293294543436546498627272411901579354679194490582191527256780", "id": "MD_5583761204367231182938351"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000940322667492121263996 | 10009403226674921212639964612544231773859877794946958457270333465484481019196580958218504030030990651653430385598599858995962346473656695800502141868993244 | 2025-04-16T15:43:58 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.198667 | null | null | null | null | null | CO_7948498062603727565349622 | 7948498062603727565349622830222044585638070087558041665370932957244805221115765194365190004985927367189672827649203988185653893802235867726578908775216762 | 5174363064298585521136280612138950932109497929618024940319170622128992982447389083856030828985401225634933949987184483816547716870659132806312214441821821 | [
[
0,
3.81324,
3.81324
],
[
3.81324,
0,
3.81324
],
[
3.81324,
3.81324,
0
]
] | [
[
1.90662,
1.90662,
1.90662
],
[
5.71986,
5.71986,
5.71986
],
[
0,
0,
0
],
[
3.81324,
3.81324,
3.81324
]
] | [
true,
true,
true
] | SbSmSn2 | SbSmSn2 | A2BC | [
"Sb",
"Sm",
"Sn"
] | [
0.25,
0.25,
0.5
] | [
51,
62,
50,
50
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_170640"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3781/MD_1729277391444983440183781.json | null | {"_oqmd_entry_id": 493434, "_oqmd_stability": 0.392237826574399, "hash": "1729277391444983440183781701818987454545394325418990930088113064087132371157067524432546024885724501865185672166966787837766973543101728305223324261002911", "id": "MD_1729277391444983440183781"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000941840911455762078505 | 10009418409114557620785057196214696194634005210795101986894176126022384724719184417041860443463198869050193310065428881286768147694337870927331567641101715 | 2025-04-16T21:22:14 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0.386 | unknown | -3.15198 | null | null | null | null | null | CO_1021184920275951119240599 | 10211849202759511192405990986259880632231996791182627825410621841723867855488405813470389936747732270721340261654067704582015896273872074096498798148338747 | 11605688685040070322961049567981708090975250983370225073719920811881324945333122291426921769516668524264846512922342339264459503420483579580937196565952874 | [
[
0,
0,
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],
[
5.560237,
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0
],
[
0.000066,
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-2.13421
]
] | [
[
2.59108945,
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],
[
5.3712359339999995,
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[
1.9294064234,
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],
[
5.499084557,
-1.108424297,
-4.268419077
],
[
4.020075375,
-2.619826399,
-2.... | [
true,
true,
true
] | Ba2F8Fe2 | BaF4Fe | A4BC | [
"Ba",
"F",
"Fe"
] | [
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
] | [
56,
56,
9,
9,
9,
9,
9,
9,
9,
9,
26,
26
] | 12 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_77080"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4317/MD_1089915281209244486024317.json | null | {"_oqmd_entry_id": 11943, "_oqmd_stability": 0.0261283011706213, "hash": "10899152812092444860243176483210595004918644084694978170466973817886532884616812781901214348999874956068813783781546838687702875399139198785110717254222763", "id": "MD_1089915281209244486024317"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000955492321009007789255 | 10009554923210090077892552607797929929842210380965801750244819809602786972139998931371997750242024762995411546293044010469482961486472523018770477579300963 | 2025-04-16T18:45:06 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.099404 | null | null | null | null | null | CO_9719835848929496229740958 | 9719835848929496229740958495108481362278836843882629215035044324874889527629005789641567520335578455962308524322253357973021706753036164346146144780247752 | 5968030592308828067616899973177125299415871440557208533880207958526987647829224672964649040376732616598305290855994865123769259229224115843466849504702450 | [
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[
3.032072,
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0
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[
0,
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0
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[
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[
3.032072,
3.032072,
3.032072
],
[
4.548108,
4.548108,
4.548108
]
] | [
true,
true,
true
] | Ni3Np | Ni3Np | A3B | [
"Ni",
"Np"
] | [
0.75,
0.25
] | [
28,
28,
28,
93
] | 4 | 2 | 0 | [
0,
0,
0
] | [
"all_oqmd_261601"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9080/MD_6630574594926820066519080.json | null | {"_oqmd_entry_id": 314140, "_oqmd_stability": 0.12306304750000051, "hash": "663057459492682006651908095852989718750531296195387597201653070076908780450710821616762880641708140401547010123020062862360651035802603070098689487499351", "id": "MD_6630574594926820066519080"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000958785524261239161735 | 10009587855242612391617354330607865039153424434985481304782036433684448667754895876338330354907369814057114028270591430475021380398005316991363828285338143 | 2025-04-16T17:18:18 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.593031 | null | null | null | null | null | CO_1105884292880475276495747 | 11058842928804752764957476211449699305996046161043263021763394261942166695068415028096335310216414064423300214102893846942813472030990596281936773630933979 | 4158768953533309431778002400359095773093325945726163161791652332488865516568122084368877166107323431283528703506453336547528816218162471128956484783586206 | [
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[
3.170294,
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0
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] | [
[
3.170294,
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3.170294
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[
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4.755441
],
[
0,
0,
0
],
[
1.585147,
1.585147,
1.585147
]
] | [
true,
true,
true
] | CrMnPbTc | CrMnPbTc | ABCD | [
"Cr",
"Mn",
"Pb",
"Tc"
] | [
0.25,
0.25,
0.25,
0.25
] | [
24,
25,
82,
43
] | 4 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_466795"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3526/MD_8808751680250038753433526.json | null | {"_oqmd_entry_id": 811283, "_oqmd_stability": 0.593030782801725, "hash": "880875168025003875343352652327072795543872234913281144439078728895817258926490320775516917600527500452120652221731442171241777800698079857341122298903941", "id": "MD_8808751680250038753433526"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000947896735026178627814 | 10009478967350261786278141148320537321138027608000627923295827835309386120775268285611602950381993143732186315794219028565980880384495828981880416272692743 | 2025-04-16T20:19:21 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.270093 | null | null | null | null | null | CO_1275129467843643573290693 | 12751294678436435732906934935833465965735908052160284401095316833431826347986495971179553930908173602949274354143597161057062617896851683621009434537558312 | 6040982111736805551873528975051012600612795704405928311069804020833237669626079391299990916380836161864969229896973196136430542991941341575323817556525316 | [
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[
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0,
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[
2.489826,
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0
]
] | [
[
0,
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0
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[
1.244913,
1.244913,
1.244913
],
[
3.734739,
3.734739,
3.734739
]
] | [
true,
true,
true
] | BBeIr | BBeIr | ABC | [
"B",
"Be",
"Ir"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
5,
4,
77
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_783259"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/5260/MD_4364995011130067173645260.json | null | {"_oqmd_entry_id": 908750, "_oqmd_stability": 0.10568487521222353, "hash": "4364995011130067173645260964841006340189402531947381479026455079306781709349560743408685921555187952226805503619157462929684854660951616666749639321205515", "id": "MD_4364995011130067173645260"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000926092536158393225883 | 1000926092536158393225883962153930162068883549413319429370484097578625689720244846013280290570409205014807720432837420993929768394968401097913106233628386 | 2025-04-16T19:05:49 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.597422 | null | null | null | null | null | CO_5977668728189667417802916 | 5977668728189667417802916409772966863782872029532139997163898928991621485635551903080270261944838076426162003391106436577643235332841990118481199624561352 | 10137016919588393510643557404201435173631903578978530765309753146251254322299290739606729828875983888209218921936676243317376588233481725276137774864525650 | [
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[
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0,
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[
3.590518,
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0
]
] | [
[
1.795259,
1.795259,
1.795259
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[
5.385777,
5.385777,
5.385777
],
[
0,
0,
0
],
[
3.590518,
3.590518,
3.590518
]
] | [
true,
true,
true
] | BaGaHf2 | BaGaHf2 | A2BC | [
"Ba",
"Ga",
"Hf"
] | [
0.25,
0.25,
0.5
] | [
56,
31,
72,
72
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_41800"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3026/MD_1077424355604935698573026.json | null | {"_oqmd_entry_id": 414337, "_oqmd_stability": 0.8969701075, "hash": "10774243556049356985730268705956299754499101248046750918066404952333608262088715423902747242809218788620898362394200442494965041362231893466287117587423167", "id": "MD_1077424355604935698573026"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1000907444616572054499366 | 10009074446165720544993666202325020377857816808635472107386097666064391047868759512586002973364116560838913021733306184264482108245489972640275573929406415 | 2025-04-16T20:04:52 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.185376 | null | null | null | null | null | CO_1184207751492981037500550 | 11842077514929810375005508665654593552655277492735267167212014106656445283211626136383040908180966145072598586768806981369223990636021693234685060322949843 | 11755904681739766137690618316494368939695058302616183007132845657463566648008937165268760657874709160362263441945500842779663224558270099401902714771837655 | [
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[
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0,
3.677078
],
[
3.677078,
3.677078,
0
]
] | [
[
1.838539,
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1.838539
],
[
0,
0,
0
],
[
3.677078,
3.677078,
3.677078
],
[
5.515617,
5.515617,
5.515617
]
] | [
true,
true,
true
] | BeLa2Li | BeLa2Li | A2BC | [
"Be",
"La",
"Li"
] | [
0.25,
0.5,
0.25
] | [
4,
57,
57,
3
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_25065"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9930/MD_2814201281675658254499930.json | null | {"_oqmd_entry_id": 385952, "_oqmd_stability": 0.221045209236527, "hash": "2814201281675658254499930689490379385918341121643894918163860606204468366782896010238078815043736437996429525108868143033651030297910820101488379974931756", "id": "MD_2814201281675658254499930"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001030445601059715634860 | 10010304456010597156348608040087546686228512312422876400335437384480206518035002276947307781877791346752100387028263124763940479200272652868558685473132823 | 2025-04-16T16:24:37 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.199582 | null | null | null | null | null | CO_5919297231913782165386300 | 5919297231913782165386300540955104075113184911650905880388841787093146787539500054838455779705448274986729161333857538238281531893114901088035501521720071 | 10982005737693786079442142484646804973165728717575015299219850955470542627757102200034847487006789270119100597710996043342482750320841051688090005205276617 | [
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0
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[
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0
],
[
0,
0,
7.675839478
]
] | [
[
2.6263957413128005,
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2.832384767382
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[
2.626133128,
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[
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],
[
2.6263957413128,
5.1367730077938,
4.843454710618
],
[
1.313066564,
-1.32863... | [
true,
true,
true
] | As4Ga4N4O4 | AsGaNO | ABCD | [
"As",
"Ga",
"N",
"O"
] | [
0.25,
0.25,
0.25,
0.25
] | [
33,
33,
33,
33,
31,
31,
31,
31,
7,
7,
7,
7,
8,
8,
8,
8
] | 16 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_515268"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9057/MD_8012772315574844720379057.json | null | {"_oqmd_entry_id": 1070533, "_oqmd_stability": 0.772317435126482, "hash": "8012772315574844720379057341455170931441813571332490878910150883381464050467951442024848909369143365739207408029453705345820369123730443876548421088386765", "id": "MD_8012772315574844720379057"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001079502509777009598041 | 10010795025097770095980411198425290217646931224358032345387415637916780443363322850526505209096280140338053442600973075801520227553414334177004066948076592 | 2025-04-16T21:37:17 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.361 | unknown | -1.71395 | null | null | null | null | null | CO_4168258071776690800978503 | 416825807177669080097850345990550027758482664117608585522828206588089421003051489420102181714260050209629598484339455066298771137299779548721616433766272 | 8370819373258934101344890822546431516943811598093126520753043794848594179919727527689898883610200238292882372059071304738137600560021169369296716896155459 | [
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0
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[
2.879363,
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0
],
[
0.000109,
0.000065,
6.251656
]
] | [
[
0,
0,
0
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[
5.761656204,
3.3265706530000005,
2.456900808
],
[
0.0000545,
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3.125828
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[
2.8765537960000005,
1.6608183470000002,
3.7947551919999998
],
[
3.8840091097,
0.33366907060000006,
1.644185528
],
[
1.2260622352000... | [
true,
true,
true
] | Na4O6Te2 | Na2O3Te | A3B2C | [
"Na",
"O",
"Te"
] | [
0.3333333333333333,
0.5,
0.16666666666666666
] | [
11,
11,
11,
11,
8,
8,
8,
8,
8,
8,
52,
52
] | 12 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_559932"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/5522/MD_2146268031497149425485522.json | null | {"_oqmd_entry_id": 1345051, "_oqmd_stability": 0.04005263249999991, "hash": "2146268031497149425485522652564122746395161352197603435483448769388401692577449765979946384407088481801468732841800864152208854081284358013536139967975948", "id": "MD_2146268031497149425485522"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001068340961030902180353 | 10010683409610309021803531529413011482653630181514258526119597206232803091819980421982777738887793583670307449255925048125395597258919473057966559540585157 | 2025-04-16T21:57:13 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.065341 | null | null | null | null | null | CO_1077149600271202053513608 | 10771496002712020535136089283766521088594910547961842948215312834555295577229950026924791921857443193739782808004586745271159825289578778866532727186212355 | 503338198902123380598806503687441957580357240195749580005219155127948247106936039058634708953059575753973980779792647996014020947428098985897442597317756 | [
[
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0
],
[
-0.000024,
0.000014,
5.415182
],
[
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2.694798,
0.00003
]
] | [
[
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0.9701347419999999,
2.886302806
],
[
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1.7246711876,
0.1808862788
],
[
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5.30688406
],
[
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0.7284706000000002,
2.59931166
],
[
-1.46562467,
0.846178934,
4.781615... | [
true,
true,
true
] | Cu2Ir2N2O2 | CuIrNO | ABCD | [
"Cu",
"Ir",
"N",
"O"
] | [
0.25,
0.25,
0.25,
0.25
] | [
29,
29,
77,
77,
7,
7,
8,
8
] | 8 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_698848"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2890/MD_1118423732278097036882890.json | null | {"_oqmd_entry_id": 1061920, "_oqmd_stability": 0.521560255851624, "hash": "11184237322780970368828900736754720360605404195543863441941159997555681929391745234228775195695659613762326338815747498960488770225289387175376190561541772", "id": "MD_1118423732278097036882890"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001063577770028776972990 | 10010635777700287769729903131003629043788353702049534973618563219382214431254404615560540806168037182698988374696518929368243507660440374360677453200052115 | 2025-04-16T22:03:29 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.013511 | null | null | null | null | null | CO_9544512232289680141505241 | 9544512232289680141505241395346126201412319450242734467276571757529388045296992530942295161027867791222605777306376413168418441844875912962755546631034011 | 7888372182672919515303083311953769638280850725654040955060007828019930516181213256302182437959930999462341567593322622721849343366409472612124398813236256 | [
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[
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0,
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[
2.825775,
2.825775,
0
]
] | [
[
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1.4128875
],
[
0,
0,
0
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[
2.825775,
2.825775,
2.825775
],
[
4.2386625,
4.2386625,
4.2386625
]
] | [
true,
true,
true
] | BCoNiSc | BCoNiSc | ABCD | [
"B",
"Co",
"Ni",
"Sc"
] | [
0.25,
0.25,
0.25,
0.25
] | [
5,
27,
28,
21
] | 4 | 4 | 0 | [
0,
0,
0
] | [
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PO_1001069146817572721560043 | 10010691468175727215600435058436840525917779387392546315687478739519187991873231160096779280472250525112774918874467694852808514077539186187946769799440808 | 2025-04-16T16:30:05 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.805593 | null | null | null | null | null | CO_2705284964774833681969129 | 2705284964774833681969129090511921122941356384879493241189374777273249372087780037580892306652303789521152693357872616188333632217642212795610946922642553 | 5546452154648980321749636041017911877992253929686135814420001788224818733601378617688722889670390465200165004098421363968195849046646032815435245111403439 | [
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true,
true,
true
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0.25,
0.75
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26,
37,
37,
37
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PO_1001031472575901510127492 | 10010314725759015101274925829042825440901268826293348169996097800174610310701333408389154459053245123080617909903995057983747185869980328639450941705131015 | 2025-04-16T18:52:40 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.831723 | null | null | null | null | null | CO_4598463831405217793555551 | 459846383140521779355555126317165926071477149792758462260243224159193728767223417990044817962085706699833226327724622292192238757201139522916649839511324 | 5147726005579243799508256542731168431040113211357523004133253732008822784523839565164814855017512924134232202159292044877186391954283918225304871741453203 | [
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[
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true,
true,
true
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0.3333333333333333,
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67,
44,
22
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[
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true,
true,
true
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0.2857142857142857,
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8,
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50,
50
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PO_1001076660627324402336038 | 10010766606273244023360386809589176943966582537396521772002995634090742963608014337602428017422499342977888505168467900825391300702009864291512102825322353 | 2025-04-16T21:12:08 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.126258 | null | null | null | null | null | CO_9460483886789969221394130 | 9460483886789969221394130308301420494272404721393329048043993528981000936787319266994776161884841717909585785033244506582243897457094322192070690793104787 | 11507031390938554845466479410106706994147803098678511606576942417511558537614178579363677245013781147508211107840047065612641624977528107361707574155690319 | [
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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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13,
31,
31,
91
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0,
0
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[
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] | [
true,
true,
true
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0.5,
0.25,
0.25
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48,
48,
71,
44
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0
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[
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[
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] | [
true,
true,
true
] | GeMnTcTi | GeMnTcTi | ABCD | [
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"Tc",
"Ti"
] | [
0.25,
0.25,
0.25,
0.25
] | [
32,
25,
43,
22
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0,
0,
0
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] | [
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true,
true
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0.5,
0.5
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32,
32,
8,
8
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[
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6.63575... | [
true,
true,
true
] | CeMg5 | CeMg5 | A5B | [
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0.16666666666666666,
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58,
12,
12,
12,
12,
12
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[
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[
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] | [
true,
true,
true
] | NSb3 | NSb3 | A3B | [
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0.25,
0.75
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7,
51,
51,
51
] | 4 | 2 | 0 | [
0,
0,
0
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PO_1001012552104362980079480 | 10010125521043629800794807676738987727394274261893550201309970521085464837290927209575386710942080390972288163318553083795552009376264183906764997267926357 | 2025-04-16T16:10:41 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 1.400347 | null | null | null | null | null | CO_5988890510730788541363833 | 5988890510730788541363833803914980898982924474610847668939887810677601719374147108754401858580988037202202988075199103880199781791091344344290664656673946 | 8415638608769246643030282321985199956478759840617474500498590664383174696674101198577299970364353465140032118224352944787267417361764551838294189754539685 | [
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[
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[
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] | [
true,
true,
true
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"La",
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0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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57,
11,
73
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0
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PO_1001099207654818658693584 | 10010992076548186586935840651085577203474206670338735105529588024948958674876436566926461102732761049684867913410694974511031340386981114012441836464864916 | 2025-04-16T21:57:13 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.583163 | null | null | null | null | null | CO_1250474299562256749633215 | 12504742995622567496332153929343570990460724690575283781036199620393438645127801575541879976389353896465247861465319832035322625885848593009836790912202995 | 10714493553027076366157991340229500832947366571130609528839949010212665304411627561195849500403383635899426517169134638282795958635960620698228527615937259 | [
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[
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[
0,
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0
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] | [
true,
true,
true
] | BeHfW2 | BeHfW2 | A2BC | [
"Be",
"Hf",
"W"
] | [
0.25,
0.25,
0.5
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4,
72,
74,
74
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0,
0,
0
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PO_1001011890627140456156764 | 10010118906271404561567643709667656917950708894172706883346349675640437140118458144445581318927239160847461812839396132485607878747051208820551629370453589 | 2025-04-16T15:44:05 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.52621 | null | null | null | null | null | CO_2355336759130568375899023 | 2355336759130568375899023280684037985760076278833194151461543707066976322083522512090530028645598107577527605692413909453119228825258114531850661641090782 | 11025960675924397883512837396761712444316384756402178743980977568220000869638343881529213691033967479205842480053994498151768402825637139836414872467209343 | [
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0,
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[
0,
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] | [
true,
true,
true
] | SnTm | SnTm | AB | [
"Sn",
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0.5,
0.5
] | [
50,
69
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0,
0,
0
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PO_1001001840871118220296442 | 10010018408711182202964426617202006338713949716823716154727964088997846574013899806671755027019916616609482568465647977208490077821293407819313663345596373 | 2025-04-16T16:46:57 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.564424 | null | null | null | null | null | CO_1239938640395524230284709 | 12399386403955242302847096953862914006341777488690014328544624918896637463859575040424908832116760890863207292193931156341460808998990116079731167393444817 | 3555821934950106289223045122705919580149174816828014269887780907205920196888878567013312312360768499002075565115613593674038347975242674331490171527604648 | [
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[
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[
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true,
true,
true
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"Ga",
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] | [
0.25,
0.25,
0.5
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31,
19,
65,
65
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0,
0,
0
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PO_1001077966076842669489055 | 10010779660768426694890552260565821043428030983404630902949948944653099823754751010525700868107918603059507947345487308350366267629944503041084915762950710 | 2025-04-16T21:44:51 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.351932 | null | null | null | null | null | CO_6212657787886742914371046 | 6212657787886742914371046182930893025686037821171328200801095903526673028460531968519520313551647412448812736475571491472464617594857847010623790847513317 | 13119480202001370408238354239738740035165906627569024104706195232292865476094543544817740584876001530597470314022776043897671125628855168295515405123451553 | [
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[
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[
4.670208,
4.670208,
4.670208
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] | [
true,
true,
true
] | BeTeZr | BeTeZr | ABC | [
"Be",
"Te",
"Zr"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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4,
52,
40
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0,
0,
0
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PO_1001094215366408453714586 | 1001094215366408453714586620455645518076073419498736573600189958195411515287458510952512579768775547184855990580545911009662691729459278459133396223983216 | 2025-04-16T21:43:16 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.22467 | null | null | null | null | null | CO_8249251909038157812708208 | 824925190903815781270820817383187744063003744841328326894261259600366906807774649949231077844658400359388927571475957126962478985607078298968476475695203 | 5331755859551477858204644237364539257551181551168995729662642651556209376151687053440219207776147807703493380452864868529677413949489756313473319842905986 | [
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[
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[
3.341605,
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3.341605
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] | [
true,
true,
true
] | CuMnPbSc | CuMnPbSc | ABCD | [
"Cu",
"Mn",
"Pb",
"Sc"
] | [
0.25,
0.25,
0.25,
0.25
] | [
29,
25,
82,
21
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0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6342/MD_3684648306318969593236342.json | null | {"_oqmd_entry_id": 725017, "_oqmd_stability": 0.466338759051724, "hash": "3684648306318969593236342878047478135907774097034103137800749383420456464488982188364932033585025329388025294810499932087061385995613493607203289322108366", "id": "MD_3684648306318969593236342"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001050629338290129622641 | 10010506293382901296226413462730882935704066302938885632001351750811400137905778949075358922291519040527016741359867386214646647093482897407121562540554320 | 2025-04-16T15:45:03 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 5.688 | unknown | -2.804751 | null | null | null | null | null | CO_2179913187737267604088485 | 2179913187737267604088485096345668473837970257447642359291422039375608494367348367804760543419673683662343598406952357581654556862303544112767659376515155 | 1847569348382161413037940386151842387784683309587394151835901786410655385721823257553119567121360689330350933398766500939599511200929752174948808701556257 | [
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[
1.8424625,
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] | [
true,
true,
true
] | BaCl2 | BaCl2 | A2B | [
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] | [
0.3333333333333333,
0.6666666666666666
] | [
56,
17,
17
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0,
0,
0
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PO_1001033844146760393355398 | 10010338441467603933553984777468085411465305595725784111059382023213312090413988847736005118473722091832289764960503779826939847754466798461822657592496426 | 2025-04-16T15:44:43 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.643881 | null | null | null | null | null | CO_9869282611593952896202462 | 986928261159395289620246209653020309974493744198651311504520314413634380464935287044532239187790149861513070202267098585704970306268102381097447945133104 | 2490655583862802835424625289538647793805915462446898595918800585198667855429038993161717535602129198655128152922220481592520999685921436302418107150344321 | [
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[
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[
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true,
true,
true
] | Mg4Se2 | Mg2Se | A2B | [
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] | [
0.6666666666666666,
0.3333333333333333
] | [
12,
12,
12,
12,
34,
34
] | 6 | 2 | 0 | [
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0,
0
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[
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0,
0
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[
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1.5297595
]
] | [
true,
true,
true
] | AsBeGeTc | AsBeGeTc | ABCD | [
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"Ge",
"Tc"
] | [
0.25,
0.25,
0.25,
0.25
] | [
33,
4,
32,
43
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0,
0,
0
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PO_1001049440835180939252258 | 10010494408351809392522580768874874767445802348382238731750115229266984781605479759514852403806488776118941941209532253445377891113675053678564093009732605 | 2025-04-16T21:22:14 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.123 | unknown | -2.571703 | null | null | null | null | null | CO_2488710115001820955035028 | 2488710115001820955035028422318208806958799588157975701264272947655029232425529212361454219065609533561052756823842096940483358329818470973244095575293358 | 10650007712556255801317498694202492702724501344851717529210499291991287701240600597114846783114499768265186966589225353824625246374377689066039986811666169 | [
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[
1.8201115,
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true,
true
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0.25,
0.5,
0.25
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29,
8,
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62
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PO_1001024394148178185979815 | 10010243941481781859798154704346340152225887642714164234365371830259852995468863333833215322010658200365970570720709106556051292142142499732510110120133730 | 2025-04-16T21:43:16 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 1.123252 | null | null | null | null | null | CO_6231420237560836435043353 | 6231420237560836435043353259530338753719710372351507399501628935847953068982028735893161531855385338495656995163258300473654988174703800887787221481358954 | 3000246205824334224589115327081726943074246304227905801146909777172938894721072938038632686927033581924260313105559593584388334887566725062670423680512985 | [
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[
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[
6.5328285,
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] | [
true,
true,
true
] | Cs2HfSn | Cs2HfSn | A2BC | [
"Cs",
"Hf",
"Sn"
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0.5,
0.25,
0.25
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55,
55,
72,
50
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0,
0,
0
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PO_1001088845312699484884963 | 10010888453126994848849634681484677490214043337565538630482013615206203433310949013627984420304800236040556535786970761148384278163009168918843588852614005 | 2025-04-16T15:44:09 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.324 | unknown | -2.892242 | null | null | null | null | null | CO_6452121813807829776993980 | 645212181380782977699398056260812427456717867352366216932378669099219098260502287704801496523393291847717923496957466675869005392963656711778065233816308 | 9402100914901125050456219141963088801724735093826534768889942722752395700155152180275968083454911891831094865097010907329793039038204544482699848713142662 | [
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[
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[
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[
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true,
true,
true
] | Cl2Gd2O8W2 | ClGdO4W | A4BCD | [
"Cl",
"Gd",
"O",
"W"
] | [
0.14285714285714285,
0.14285714285714285,
0.5714285714285714,
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17,
17,
64,
64,
8,
8,
8,
8,
8,
8,
8,
8,
74,
74
] | 14 | 4 | 0 | [
0,
0,
0
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PO_1001050619506239712130534 | 10010506195062397121305344156286220033851755415567414493442381063430575673286659605983258387963860768426268280345239671182529983197285885748551429861090287 | 2025-04-16T16:50:03 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.086848 | null | null | null | null | null | CO_1485432233041093193787326 | 1485432233041093193787326889668603650369180377938990150771698906553705355252335776261638076323742539383254153223340261697926814082474762966219268009762115 | 7551765259923829542929290826471114836704299920425274411062710012451604248403757807603903756717705416317649178978779502628160133018487341466267329113556195 | [
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[
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[
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[
5.8759688445,
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5.8759688445
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] | [
true,
true,
true
] | BaIn2 | BaIn2 | A2B | [
"Ba",
"In"
] | [
0.3333333333333333,
0.6666666666666666
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56,
49,
49
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0,
0,
0
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PO_1001079562468170539933966 | 10010795624681705399339667278975236145754246015014566819882629359444322595186550342579495637900707195767213474304613350791870689943683431427177087106612441 | 2025-04-16T21:51:00 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.325462 | null | null | null | null | null | CO_1022242923277552226751776 | 10222429232775522267517761873287534693618362088486013700757456392726938798647212714581517248349901240947484943708657389402673222627055415770244831089213514 | 4303260807861027381983670454948577315608832624737412421582094643836859355561785494609290544022312220399215279029008155337247209282102910768878358665495075 | [
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[
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[
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1.730979
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[
5.192937000000001,
5.192937000000001,
5.192937000000001
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] | [
true,
true,
true
] | Ge2MgTm | Ge2MgTm | A2BC | [
"Ge",
"Mg",
"Tm"
] | [
0.5,
0.25,
0.25
] | [
32,
32,
12,
69
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0,
0,
0
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PO_1001012529891294830348214 | 1001012529891294830348214196088674889883807635317479350084939655478467430769883510826423234340592440229856265768948969432021985182622242194668110024218978 | 2025-04-16T16:22:12 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 1.596976 | null | null | null | null | null | CO_1246468040472053747214088 | 12464680404720537472140884908371225051105799567413935549098581579133319174793486435336226880932443653146512653203739362461434498344695229820048751090517164 | 12093485213261552193271726670640079582948088080882284500114469677958687802457467412101397872593762941965877598680839622334866689291756124266334021624012844 | [
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[
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[
1.806386,
1.806386,
1.806386
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[
5.419158,
5.419158,
5.419158
]
] | [
true,
true,
true
] | AcGeW | AcGeW | ABC | [
"Ac",
"Ge",
"W"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
89,
32,
74
] | 3 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2873/MD_2244909487074092950352873.json | null | {"_oqmd_entry_id": 850966, "_oqmd_stability": 1.95762361513658, "hash": "2244909487074092950352873058822683309461593725950479570944218669566974645673924186146353467360532353566464828075112839390436094714229052667819748335008335", "id": "MD_2244909487074092950352873"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001064068584398775314905 | 10010640685843987753149054698813287143694831939701496691350580137188005545915167616630572861923298896923139739972486761480660034285671687562349607438279777 | 2025-04-16T17:32:02 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.096893 | null | null | null | null | null | CO_7384244768249619717889865 | 7384244768249619717889865125529934121133770478613168194244421894527832237179121013244325521005475017957579150150940064199033521484739639700174823899163364 | 11854196326814780641770329107428976133433226692008486937148658345785814845307596493624985879568849489278501521481089455486276973710253915491346339066479107 | [
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[
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] | [
[
0,
0,
0
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[
0,
2.403367,
1.8230335
]
] | [
true,
true,
true
] | PbPd | PbPd | AB | [
"Pb",
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] | [
0.5,
0.5
] | [
82,
46
] | 2 | 2 | 0 | [
0,
0,
0
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PO_1001012643240159140714394 | 10010126432401591407143948213760302797060116045234660701895193575602995195188840910497184865826163029711444171271434950687234028600383491122885719817546831 | 2025-04-16T20:58:52 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.332161 | null | null | null | null | null | CO_6850162189925647821912604 | 6850162189925647821912604095964555028815552804636832713701464929712297981819479804200741460275491915444820543435511060715950054377044308918887631448903133 | 8756149153389851387180087760738607301367888585376448318117842501416452795671404970920451882898878455148247171122736359979550698806052907658101998360966039 | [
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[
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[
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2.2328215
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[
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6.6984645
]
] | [
true,
true,
true
] | Ba2LaTm | Ba2LaTm | A2BC | [
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"La",
"Tm"
] | [
0.5,
0.25,
0.25
] | [
56,
56,
57,
69
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0,
0,
0
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PO_1001047503387646549437069 | 10010475033876465494370697956983940807725698478991433266614013015452380689076404213987081673320374795196655596992908500976845882334925386167213510357454703 | 2025-04-16T17:20:25 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.271346 | null | null | null | null | null | CO_6673396151652637521903236 | 6673396151652637521903236297547320068713749628291484538205185604396726915192051910319851573313517944708457512135958248300903301779311169847170165297508916 | 12662795200384608112151806492637519592470669190151830864046222914438447197014921532915441098461154964602879479747219000288591053753067336551032566955352726 | [
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[
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[
0,
0,
0
],
[
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4.528693299
]
] | [
true,
true,
true
] | AuBU | AuBU | ABC | [
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"B",
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] | [
0.3333333333333333,
0.3333333333333333,
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] | [
79,
5,
92
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0,
0,
0
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PO_1001072778108770870047785 | 10010727781087708700477854755511786934854913659011661413977186001928056759189376578770331893197329794995118472576167525921286965625642087014877240009055093 | 2025-04-16T17:23:25 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0.966 | unknown | -2.407823 | null | null | null | null | null | CO_4791999610588157281381140 | 479199961058815728138114002220194358702938078131952442529095905484841214195151639512047895839571149297303262787017258411170032096755343506158459951610712 | 1388246285171685988675618238800502095734370546131601854025445444437221537808683290091653300685933321843844761438301562398201079678547230989879151793586521 | [
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0
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[
0,
5.786931,
0
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[
0,
0,
7.654116
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] | [
[
5.126642757,
0.4901530557,
1.913529
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[
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3.3853546349999997,
1.913529
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[
2.4813162569999996,
2.401576365,
5.740587
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[
0.16189398179999998,
5.295041865,
5.740587
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[
3.581772081,
1.788161679,
0.46230860640000004
... | [
true,
true,
true
] | Gd4O12Rh4 | GdO3Rh | A3BC | [
"Gd",
"O",
"Rh"
] | [
0.2,
0.6,
0.2
] | [
64,
64,
64,
64,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
45,
45,
45,
45
] | 20 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_281397"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0947/MD_1177761469770262785810947.json | null | {"_oqmd_entry_id": 693421, "_oqmd_stability": 0.0, "hash": "11777614697702627858109476084423135033124707073521373639319395883785590648242399598834613448889136979454843091185671003829025813839874079887152041830771052", "id": "MD_1177761469770262785810947"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001049777728582231492040 | 10010497777285822314920406960428074526561378055770874070544024440456563752979001374174454558181757618939565121731837409729871372750559648113227224115988734 | 2025-04-16T16:50:24 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.167514 | null | null | null | null | null | CO_9386598185817085088025922 | 9386598185817085088025922213416749704561578098183567304058769238241805592845246860774872528534217488921343951115391800284875830025250283553674828799911595 | 3314115347601185951721651003008396079557534994788020571479834172940280174242600142003253342342140368887198500182576096132182878019401160225409414924737297 | [
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[
3.717241,
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3.717241
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[
3.717241,
3.717241,
0
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] | [
[
1.8586205,
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1.8586205
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[
0,
0,
0
],
[
3.717241,
3.717241,
3.717241
],
[
5.5758615,
5.5758615,
5.5758615
]
] | [
true,
true,
true
] | CaSb2Zn | CaSb2Zn | A2BC | [
"Ca",
"Sb",
"Zn"
] | [
0.25,
0.5,
0.25
] | [
20,
51,
51,
30
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_7059"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/1378/MD_5513008830944389457201378.json | null | {"_oqmd_entry_id": 486826, "_oqmd_stability": 0.35973503713465915, "hash": "5513008830944389457201378727062527887854722332145641118953493890802250004821304181630934570291921427623169061212952518313672289081335108529374290193913233", "id": "MD_5513008830944389457201378"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001021777600829341683822 | 10010217776008293416838225379522403056226465592598812504073699658820506499903867936275705004647788960912278925407305009670230567575622081281725432469766104 | 2025-04-16T21:13:01 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.214874 | null | null | null | null | null | CO_1131973612828530656928293 | 11319736128285306569282935335005536125131529087844769701084804369980901221351898341262978246676024931137035580987932603937835786008530526882436651812186611 | 2864578437437246234448050648272291963865310776153759476000136544464985705178727721859005321158186078082138244624010235208111022547881907606257758653049450 | [
[
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3.334328
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[
3.334328,
0,
3.334328
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[
3.334328,
3.334328,
0
]
] | [
[
5.001492000000001,
5.001492000000001,
5.001492000000001
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[
1.667164,
1.667164,
1.667164
],
[
3.334328,
3.334328,
3.334328
],
[
0,
0,
0
]
] | [
true,
true,
true
] | CoLuMnPb | CoLuMnPb | ABCD | [
"Co",
"Lu",
"Mn",
"Pb"
] | [
0.25,
0.25,
0.25,
0.25
] | [
27,
71,
25,
82
] | 4 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_346553",
"all_oqmd_347553"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0707/MD_8388716436432037352380707.json | null | {"_oqmd_entry_id": 766559, "_oqmd_stability": 0.421078154549172, "hash": "8388716436432037352380707132949466691718051526047073970402431389334868966928204189171262740870609178438638007230733721165705038111458574616055735688920586", "id": "MD_8388716436432037352380707"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001023951290875783693144 | 10010239512908757836931448805675189503358502103950425654309396294241930874221630034384247959770083424731354978946818413570490935014740326379122200997805383 | 2025-04-16T21:52:07 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.196582 | null | null | null | null | null | CO_9354440559923102291840020 | 9354440559923102291840020924315359393167475247641691718298655694404968063680197540193328715996905305666742227066444365236727564911604130352522862630673771 | 1628542475131691537542299781326809653855319677280039545074993947454547436420896763989344260021083966844488521743476574802067434742972196474123067046924733 | [
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[
3.167839,
0,
3.167839
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[
3.167839,
3.167839,
0
]
] | [
[
1.5839195,
1.5839195,
1.5839195
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[
3.167839,
3.167839,
3.167839
],
[
4.751758499999999,
4.751758499999999,
4.751758499999999
],
[
0,
0,
0
]
] | [
true,
true,
true
] | LiNbNiPb | LiNbNiPb | ABCD | [
"Li",
"Nb",
"Ni",
"Pb"
] | [
0.25,
0.25,
0.25,
0.25
] | [
3,
41,
28,
82
] | 4 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_482609"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2524/MD_1147914366268999808312524.json | null | {"_oqmd_entry_id": 818745, "_oqmd_stability": 0.445488873826594, "hash": "1147914366268999808312524681229557601478449758673979852816230685358978849831488147073990345587778079223372510388930414439183500914720846387566539197777623", "id": "MD_1147914366268999808312524"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001015321566612316920197 | 10010153215666123169201976511792239104899435301787334484756085887044035145069964898552187254044220068799515908483708444280015274520570398195016608706916241 | 2025-04-16T18:33:43 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.527162 | null | null | null | null | null | CO_3160294094577730176519709 | 3160294094577730176519709977090712370071010882802058378698286073952877451723181513006322742317928345345802556040798261020257904764909288219673260255466381 | 9367238477717428012773306241766885951689849967493196356978264219088918764882893420081419045452704990577761377929593523093747750978219768745966523238103104 | [
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3.260678
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[
3.260678,
0,
3.260678
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[
3.260678,
3.260678,
0
]
] | [
[
0,
0,
0
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[
1.630339,
1.630339,
1.630339
],
[
4.891017,
4.891017,
4.891017
]
] | [
true,
true,
true
] | CuGeLa | CuGeLa | ABC | [
"Cu",
"Ge",
"La"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
29,
32,
57
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_738378"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3256/MD_4422481727754296580163256.json | null | {"_oqmd_entry_id": 852748, "_oqmd_stability": 0.14547717999999998, "hash": "4422481727754296580163256308446474831543037540105370372016039746730062721001099523958314621870721733574177677419660761547844370888421728779388376331256153", "id": "MD_4422481727754296580163256"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001090958793089674143660 | 10010909587930896741436603372714470888248594389296857369398012484264572608341042011071750251124028552703848420242019692272624625001998091921750393362073065 | 2025-04-17T17:56:16 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.300008 | null | null | null | null | null | CO_1261255922795509416379566 | 12612559227955094163795665419193327749045120258579240292352140817047347047584299282870590875151587293432117129904772299374173682586139450484357205948235377 | 11965996766205684206046918197527849494823781760955450770961625192541817784753238214245064761641825296010394704636610178082345516661614881100678896954341291 | [
[
0,
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[
3.299494,
0,
3.299494
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[
3.299494,
3.299494,
0
]
] | [
[
1.649747,
1.649747,
1.649747
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[
0,
0,
0
],
[
3.299494,
3.299494,
3.299494
],
[
4.949241000000001,
4.949241000000001,
4.949241000000001
]
] | [
true,
true,
true
] | PuRu2Yb | PuRu2Yb | A2BC | [
"Pu",
"Ru",
"Yb"
] | [
0.25,
0.5,
0.25
] | [
94,
44,
44,
70
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_180783"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/5727/MD_5465329288733184438155727.json | null | {"_oqmd_entry_id": 503613, "_oqmd_stability": 0.397394706080239, "hash": "5465329288733184438155727694222058457142248464374686915447821602400596619446186695809605970382316145354006413976832458305062299646954567916460594775580323", "id": "MD_5465329288733184438155727"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001044335154665726029349 | 10010443351546657260293495668773810888921735783693593319485924207643064402388467558985549642340879524587477372131152328986378729496160410828868746403807394 | 2025-04-17T18:37:27 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 1.489 | unknown | -0.938064 | null | null | null | null | null | CO_9004099403218047416027370 | 9004099403218047416027370776679116014311384817023380819345269046386457901326572050427402807767037178050962053362529693834568631343463532196339610562148654 | 5739353759286702390922715511779107434154350147958931666456144570153408966246835356320646946557020765238079227276160131665389574684618906487924903896474961 | [
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0
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[
5.546376,
5.546376,
0
],
[
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0,
5.546376
]
] | [
[
0,
0,
0
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[
2.773188,
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2.773188
],
[
6.932969999999999,
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1.386594
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[
4.159782,
1.3865940000000003,
1.386594
],
[
-1.386594,
-1.3865939999999999,
4.159782
],
[
1.386594,
1.386594000000... | [
true,
true,
true
] | Mo2Na4S8 | MoNa2S4 | A4B2C | [
"Mo",
"Na",
"S"
] | [
0.14285714285714285,
0.2857142857142857,
0.5714285714285714
] | [
42,
42,
11,
11,
11,
11,
16,
16,
16,
16,
16,
16,
16,
16
] | 14 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_778552"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0815/MD_8424300570872916257300815.json | null | {"_oqmd_entry_id": 1283875, "_oqmd_stability": 0.105491826457561, "hash": "842430057087291625730081534529834277264279239282308316626212287114769310819868207404937009302716201512904646096484697060725318701122112784566590315689987", "id": "MD_8424300570872916257300815"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001022398614862826754396 | 10010223986148628267543960024359341725632317244408000366425574771104417135940133255326504310285729231285825839784770044286629542048144331439743901456775632 | 2025-04-17T18:06:06 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.758514 | null | null | null | null | null | CO_1507367493257304878035594 | 1507367493257304878035594724688567642941370499696729874381832218785848111401780610517546859048520655528880234954789371622604807588664681517959928344425675 | 10486059689944481175137139790744312410836469475829063436191038650988652417775736569302859728243977115319172272776085422611393764421475101893131672782669277 | [
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0,
0
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[
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6.317245358,
0
],
[
0,
0,
4.575771127
]
] | [
[
3.6509105713079997,
2.1036427042140002,
0
],
[
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4.213602653786,
0
],
[
0,
0,
2.2878855635
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[
1.728802807992,
0,
0
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[
-0.864401403996,
1.4971871498459999,
0
],
[
2.782861904004,
4.820058208154,
0
... | [
true,
true,
true
] | Bi3Pd3Yb3 | BiPdYb | ABC | [
"Bi",
"Pd",
"Yb"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
83,
83,
83,
46,
46,
46,
70,
70,
70
] | 9 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_620845"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/5358/MD_1099403100336899870605358.json | null | {"_oqmd_entry_id": 1439534, "_oqmd_stability": 0.06535775972222102, "hash": "10994031003368998706053583576960591555182735108493381514560581750517476087865624573705913068549910058093597066641168766076274821071251526608293623162223126", "id": "MD_1099403100336899870605358"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001087916445297739784802 | 10010879164452977397848021243579071832135963830797942311769688249470033720046209140334474264828352764567779834539624358744569354085817180398695949735133272 | 2025-04-16T19:49:49 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.373695 | null | null | null | null | null | CO_7313166871300585723438476 | 7313166871300585723438476184333219856236076920486181545874986498280775613465590460945620192058640284211393968130802559710469885171624151076840469696712794 | 11788934766524639898094732408226021462983158911204129308973041170004708934025823019332223264873863486146719418184513031075591973476729688091802090351428546 | [
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[
3.367505,
0,
3.367505
],
[
3.367505,
3.367505,
0
]
] | [
[
5.0512575,
5.0512575,
5.0512575
],
[
0,
0,
0
],
[
3.367505,
3.367505,
3.367505
],
[
1.6837525,
1.6837525,
1.6837525
]
] | [
true,
true,
true
] | CrGaHfHg | CrGaHfHg | ABCD | [
"Cr",
"Ga",
"Hf",
"Hg"
] | [
0.25,
0.25,
0.25,
0.25
] | [
24,
31,
72,
80
] | 4 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_364009"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0768/MD_9650565698276077796300768.json | null | {"_oqmd_entry_id": 780859, "_oqmd_stability": 0.626570449383433, "hash": "965056569827607779630076809334541254757021848045904863900956388422884866436248430319433105887668910892388083141036885653616395246917738134575395814328470", "id": "MD_9650565698276077796300768"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001097515389579288365597 | 10010975153895792883655977477709919704648817453805018811387478440488127525688665263971848088138616156552553317511565546817401252712138682028187577057823531 | 2025-04-16T19:57:46 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.049631 | null | null | null | null | null | CO_6602242210335702235322719 | 6602242210335702235322719091398214020774171115849324197698444353606364707111294056709196265233495582582715139564559551055428684299186307396962921578654565 | 7195163381684014958913678956440385344539585581571819599922530807787894500530561431428071481156909088486407986225038632852689253737461721882072035584837976 | [
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[
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[
3.485449,
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0
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] | [
[
1.7427245,
1.7427245,
1.7427245
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[
5.2281735000000005,
5.2281735000000005,
5.2281735000000005
],
[
0,
0,
0
]
] | [
true,
true,
true
] | LiPaTe | LiPaTe | ABC | [
"Li",
"Pa",
"Te"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
3,
91,
52
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_467228"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/5164/MD_1058185306305605452085164.json | null | {"_oqmd_entry_id": 844660, "_oqmd_stability": 0.798937434211638, "hash": "10581853063056054520851643763899210505208247818027632941583607153692171752014323658922028673031490648476559327192255189266976540242836009221951048056277381", "id": "MD_1058185306305605452085164"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001003561062916110610016 | 10010035610629161106100169987575531506400727581583976061955465917639346482057467651053080367847746222435018863837123327660602672256556654882215436136673743 | 2025-04-17T18:48:22 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.074303 | null | null | null | null | null | CO_1239006699935760406477643 | 12390066999357604064776433474751774869677811622113105038731020604398004012908684885494740871638107326488071128277234996663182722764256376997821600307418864 | 12526254721040016467700012391373241461010016079823476672132319204605062418335089198293713091861764746608189977029182710252745801441872345801018133587420231 | [
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[
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[
3.146548,
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0
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] | [
[
4.719822000000001,
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[
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1.573274
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[
3.146548,
3.146548,
3.146548
],
[
0,
0,
0
]
] | [
true,
true,
true
] | FeLiTiTl | FeLiTiTl | ABCD | [
"Fe",
"Li",
"Ti",
"Tl"
] | [
0.25,
0.25,
0.25,
0.25
] | [
26,
3,
22,
81
] | 4 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_385170"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/5456/MD_4735992950617333554755456.json | null | {"_oqmd_entry_id": 798621, "_oqmd_stability": 0.416204998749999, "hash": "4735992950617333554755456230172635002343566559337888959994358838056851801203687723757218719332632331542368134311128456799690189608053596309021930711184042", "id": "MD_4735992950617333554755456"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001063250600250798618589 | 1001063250600250798618589126783427999230049080841756965474479970820976350961447291632269119183366962157499298523912353435999914077010453493926416213021765 | 2025-04-16T17:26:05 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.126286 | null | null | null | null | null | CO_1233473224024277101564278 | 12334732240242771015642788049352163216611621308038586830938520039935166347194565057934617045625037295628638195441061926738655151104519571450647912487433964 | 13013385767611146889279589807272173375151772636938972535592250972364836139438131385571017921191867323960161475439805180455162666269139895331004967179225471 | [
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[
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0,
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[
2.902566,
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0
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] | [
[
1.451283,
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[
2.902566,
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2.902566
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[
0,
0,
0
],
[
4.353849,
4.353849,
4.353849
]
] | [
true,
true,
true
] | BeLi2Zn | BeLi2Zn | A2BC | [
"Be",
"Li",
"Zn"
] | [
0.25,
0.5,
0.25
] | [
4,
3,
3,
30
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_145227"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2065/MD_2734767645335175078062065.json | null | {"_oqmd_entry_id": 445330, "_oqmd_stability": 0.237120215, "hash": "2734767645335175078062065266377113253511014913448627688528358308832160930967734969083683417040046970596932361993546520616846374765123436962044637250054465", "id": "MD_2734767645335175078062065"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001078044898914267724218 | 10010780448989142677242186625115363934917766628590291714347376640804030975031944692049610916845604460099893334692916299056518126349786852672559591484769238 | 2025-04-16T17:14:08 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.01546 | null | null | null | null | null | CO_3903701460962149795451172 | 3903701460962149795451172508884815389232310349692292287184636967266792784682250877612935956723010430122598561792916020954492958666155482733903574758820328 | 10058556634627129718844839286944719841764701860827863659335774355983099312350567727094276789277106310152047268677123283857641785680394845680308992979690239 | [
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[
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[
4.016142,
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0
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] | [
[
2.008071,
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2.008071
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[
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6.0242130000000005,
6.0242130000000005
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[
0,
0,
0
],
[
4.016142,
4.016142,
4.016142
]
] | [
true,
true,
true
] | AcCdYb2 | AcCdYb2 | A2BC | [
"Ac",
"Cd",
"Yb"
] | [
0.25,
0.25,
0.5
] | [
89,
48,
70,
70
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_23604"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/8981/MD_6095523765982603286508981.json | null | {"_oqmd_entry_id": 382493, "_oqmd_stability": 0.225100260625, "hash": "6095523765982603286508981894783608918411734562424569384293735005552058173007230190720574567998378754080766298349963547109223124874923449522974982223554714", "id": "MD_6095523765982603286508981"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001075835141689878791464 | 10010758351416898787914645462197398706043210663742145762642343308381778308552299707333780063929084323653975535915109998674111278293880419753260430742418327 | 2025-04-16T16:30:05 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.325906 | null | null | null | null | null | CO_1290574158644525758736415 | 12905741586445257587364153778741770913527158205556865572715532306893708813461467675226553581109310190386110667918568820242308922941389047781228602690853688 | 10514102187833995857439319887269911899434813515687974467440098915662372057096522293196741576417626358801241382916355300033254138221131269817957761574660875 | [
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[
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0
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[
0,
0,
5.768299
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] | [
[
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4.32622425
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[
3.5122827740000004,
2.023765875,
1.44207475
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[
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1.938682625,
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[
1.8315800280000007,
5.104995,
1.44207475
],
[
-1.8245624799999998,
5.104995,
1.442074... | [
true,
true,
true
] | Ac2Pb6 | AcPb3 | A3B | [
"Ac",
"Pb"
] | [
0.25,
0.75
] | [
89,
89,
82,
82,
82,
82,
82,
82
] | 8 | 2 | 0 | [
0,
0,
0
] | [
"all_oqmd_91235"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9351/MD_5629625073518304576599351.json | null | {"_oqmd_entry_id": 318715, "_oqmd_stability": 0.08286334499999998, "hash": "5629625073518304576599351232993239837182014620551091782621596245158586619282308477539555032435236421364317979701602650588440172634618022928072039112621777", "id": "MD_5629625073518304576599351"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001076380967733665820754 | 10010763809677336658207547707859944942573662447378556923459613363664022862665006109225092584937197706450458082840697146874320213861849811244374065745675563 | 2025-04-16T18:47:56 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.111156 | null | null | null | null | null | CO_1248635141103703454543359 | 12486351411037034545433591288132922618112707468629688578696520146800856252399807604165690182398013919605288844991178768845582156980096962222683180361678182 | 7593771170766518605255071988035678301828031899476446959940634536185260542721972115368878215869761862760104740510891254064565171846874667186966492952979114 | [
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[
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0,
4.078919
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[
4.078919,
4.078919,
0
]
] | [
[
0,
0,
0
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[
4.078919,
4.078919,
4.078919
],
[
2.0394595,
2.0394595,
2.0394595
],
[
6.1183785,
6.1183785,
6.1183785
]
] | [
true,
true,
true
] | Pr2SmTm | Pr2SmTm | A2BC | [
"Pr",
"Sm",
"Tm"
] | [
0.5,
0.25,
0.25
] | [
59,
59,
62,
69
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_27230"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0493/MD_7950800835762196461200493.json | null | {"_oqmd_entry_id": 390140, "_oqmd_stability": 0.111156016875, "hash": "7950800835762196461200493632131218476771279312222089192989563479053311490907768916648603544083426194934149999771812664298570810954093930233100954819031573", "id": "MD_7950800835762196461200493"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001019271314109191391124 | 10010192713141091913911242686996529881710214593631389664629304391033346796459468856155408650701647762762009428741132684546065506871377533769994910252995888 | 2025-04-16T20:43:06 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.712764 | null | null | null | null | null | CO_8316893655143669473427648 | 8316893655143669473427648898959666997562782454234996964653859789160022285572009778551721065851505371798505200036600093198257098160503573127671720430612956 | 1308181657675895691660214408448608696137339945991828247929535143015108945450973820676923161864004721874412412923059248033126059409057317485922671667796900 | [
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[
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0,
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[
3.591062,
3.591062,
0
]
] | [
[
1.795531,
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[
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3.591062
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[
0,
0,
0
],
[
5.3865929999999995,
5.3865929999999995,
5.3865929999999995
]
] | [
true,
true,
true
] | CeNb2U | CeNb2U | A2BC | [
"Ce",
"Nb",
"U"
] | [
0.25,
0.5,
0.25
] | [
58,
41,
41,
92
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_71746"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9125/MD_1097679662909129445519125.json | null | {"_oqmd_entry_id": 488530, "_oqmd_stability": 0.712763986874998, "hash": "10976796629091294455191254000583143309055659538005785867268866086953054013969509649898615320034810896944888905539268448164809738299696846988570683976464546", "id": "MD_1097679662909129445519125"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001068246653887360353049 | 10010682466538873603530499703694272660055973440953896054414143394048377405371687486118940542159597643673210168146051153347118948354105759841598719524578081 | 2025-04-16T16:07:44 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -1.143378 | null | null | null | null | null | CO_7026628123648059855165811 | 7026628123648059855165811850561226985413523225582867293943243600912524556704254383604849904929225576102945574994624948519405657731661280021861478100621230 | 4728669243576231957310722284875350821915767748828375512824917660092730312842462650053649935235195272386667209163147226823999152146219291095612840352447631 | [
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0
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[
0,
6.104716754,
0
],
[
0,
0,
7.081730749
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] | [
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0,
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[
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0.677623559694,
5.622894214706
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[
0,
1.532283905254,
3.243432683042
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[
0,
4.572432848746,
6.784298057542
],
[
2.061957994,
1.6910065408580002,
0.7435817286449999
],
[
2.061957994,
... | [
true,
true,
true
] | As2Au2Ce2O2 | AsAuCeO | ABCD | [
"As",
"Au",
"Ce",
"O"
] | [
0.25,
0.25,
0.25,
0.25
] | [
33,
33,
79,
79,
58,
58,
8,
8
] | 8 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_575474"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3069/MD_6181448224388474006693069.json | null | {"_oqmd_entry_id": 1095980, "_oqmd_stability": 0.590360516875001, "hash": "6181448224388474006693069387483218942769279367153283529021352706223841611945742576314449397252883358249420125856575230060465422008352159738614940295642807", "id": "MD_6181448224388474006693069"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001091950866669204621520 | 10010919508666692046215201010868158732166237983667149864093938527168485857331943651066383782939162728817006109158281325068831346487332311866413643782739991 | 2025-04-16T22:03:29 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.094061 | null | null | null | null | null | CO_1125134732811692706380427 | 11251347328116927063804273931090468349148154699994732963870763370883391421833703693847256829855663509013845284806208785326192075056691449235407245633283987 | 10196696175629384699439811379026939699942210387935245822779123194746287998087957410375147199288646273503610089848173535221166624373708170175620473923136011 | [
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[
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0,
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[
3.077254,
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0
]
] | [
[
4.615881,
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4.615881
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[
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3.077254,
3.077254
],
[
0,
0,
0
],
[
1.538627,
1.538627,
1.538627
]
] | [
true,
true,
true
] | CuNbZn2 | CuNbZn2 | A2BC | [
"Cu",
"Nb",
"Zn"
] | [
0.25,
0.25,
0.5
] | [
29,
41,
30,
30
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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PO_1001089270699501631072094 | 10010892706995016310720947061803964456330436331957424580303577977939717825393481275714953672787804809570959371263089629353739186855004400309886890349732761 | 2025-04-16T16:08:10 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.509198 | null | null | null | null | null | CO_1073900930643955352919456 | 10739009306439553529194564763618683633079718267826199665440848274798455819155762635066829585274877143204131423504699466046998730085547200032284202093532211 | 7909367038243924658361125403183878491196129816504380610599454177054146329774202887051515713558038197374417546164343381306465711077219865362849760810908063 | [
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[
0.95865075,
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true,
true,
true
] | Co2O2Pt2Te2 | CoOPtTe | ABCD | [
"Co",
"O",
"Pt",
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0.25,
0.25,
0.25,
0.25
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27,
27,
8,
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78,
78,
52,
52
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PO_1001001666915929354012300 | 10010016669159293540123004953795031779059992062658519200284187103262787133852272567759726529878874379685656101969730165509574597920103360984483212129841912 | 2025-04-16T16:09:21 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 1.312 | unknown | -2.996137 | null | null | null | null | null | CO_1190928365693966995523069 | 11909283656939669955230697279157349606143000281990832623077810851351737956863527144744450534860423991248888136872856579604342538654236352810577758184301856 | 8318007955622963029694831318962291810076180731283134775756702003528940139725601885179152615232772443721022047340311697584408878860853745032173499336210252 | [
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[
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true,
true,
true
] | Be2Gd4O8 | BeGd2O4 | A4B2C | [
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"Gd",
"O"
] | [
0.14285714285714285,
0.2857142857142857,
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64,
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64,
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8,
8,
8,
8,
8,
8,
8,
8
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0,
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PO_1001099275451159244009740 | 100109927545115924400974020054549971784319266429997250730324870112012323264002430801607228612972288711771884989140751890772997343333318542690408889310801 | 2025-04-16T21:56:50 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.772755 | null | null | null | null | null | CO_4601343463416235113347848 | 460134346341623511334784889075849072799298786862730191482477946219955036316301901286523723858042498305502739676268895669470228211235688618950533527491960 | 2277055377268342079618532312555658578037308682950365094672119450608062309368378618091754897289218327402859636460476869547316329097506487465076974554707073 | [
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[
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] | [
true,
true,
true
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"H",
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] | [
0.25,
0.75
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1,
52,
52,
52
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0,
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PO_1001019797432394540053640 | 10010197974323945400536405940921225647368965055090300444425111591970042666921723368680896109267548540419837152718765065151127065884671085349369364116150867 | 2025-04-16T16:10:12 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.347634 | null | null | null | null | null | CO_9144778216147657356573107 | 9144778216147657356573107094427118661476751410721153638633213497350706819366731755266796113284845945084505358464764131460956037713267401606612832864069933 | 1750010885418934581768161825464026464352501702803603335982858054803359068684003254245552960528164540058601892874423154613490437446335281543276100647074893 | [
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[
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[
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] | [
true,
true,
true
] | RhSb2V | RhSb2V | A2BC | [
"Rh",
"Sb",
"V"
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0.25,
0.5,
0.25
] | [
45,
51,
51,
23
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0,
0,
0
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[
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... | [
true,
true,
true
] | H2Ce2S2 | CeHS | ABC | [
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] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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58,
58,
1,
1,
16,
16
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0
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PO_1001089755782497033229349 | 10010897557824970332293491397239992245065166873380812646818438292170583018142007570985645341987687197082224756731854668661958962838573883317541905313448394 | 2025-04-16T17:31:41 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 1.312366 | null | null | null | null | null | CO_1247289593604461761879297 | 12472895936044617618792970147948049752268594217019704968646868446971132171393348069660707570303083390608124318443917797478830225850838320471049176629789065 | 1473961214083604676745276956784640071983553749656700569433556717351815616506603267219923134248775941089246825325750297089017923097938325280131048823415334 | [
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[
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[
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] | [
true,
true,
true
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0.5,
0.25,
0.25
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55,
55,
43,
70
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0,
0,
0
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PO_1001094748390024939590368 | 10010947483900249395903687721931207227303007637560295606510244633179912932739710635477602327132348203407631975069472601506266117744189216796704694362745913 | 2025-04-16T18:04:10 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.105003 | null | null | null | null | null | CO_7148048595346446765997591 | 7148048595346446765997591296059813419249249571564835030083506969313314013379578955897380427806054970903500659145984997861417775341031681621167024990557441 | 12058322224501598629169047922149172117423443110372302441801228867897167538717918105083043279820498980855562036939693403960756496127170763761483688298973109 | [
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[
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] | [
true,
true,
true
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0.5,
0.25,
0.25
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42,
42,
41,
22
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[
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true,
true,
true
] | Li8Mn2O11Os2 | Li8Mn2O11Os2 | A11B8C2D2 | [
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] | [
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76,
76
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4.286025,
3.0106415
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[
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0.5334856738
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[
1.801900422,
0.39517150500000003,
1.234363015
],
[
1.801900422,
... | [
true,
true,
true
] | Ca4F12K4 | CaF3K | A3BC | [
"Ca",
"F",
"K"
] | [
0.2,
0.6,
0.2
] | [
20,
20,
20,
20,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
19,
19,
19,
19
] | 20 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0398/MD_1153364877994143446080398.json | null | {"_oqmd_entry_id": 19734, "_oqmd_stability": 0.0, "hash": "11533648779941434460803985619900722998093363761523465157810954324566106833845565014521661887322106120670413342290986093051289640320907781943882342722637552", "id": "MD_1153364877994143446080398"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001111182158801390555824 | 10011111821588013905558249781398053260070763936521339703211653271237374932877433862344314715783468327080043198441728146929610501857794630374258461566685684 | 2025-04-16T18:55:31 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.284269 | null | null | null | null | null | CO_9784017175766787087853427 | 9784017175766787087853427090498856150699229787281007274952180302895115007850183769323892047139874836323908828136067804508000845140429514067114343157887864 | 8341926154554027871877562711740382063481717437797074030642832110987749601199450826759499835445548745044079614440899749704518032047089339039305021008327664 | [
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[
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[
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3.39785,
3.39785
],
[
5.096775,
5.096775,
5.096775
]
] | [
true,
true,
true
] | AuGa2Tb | AuGa2Tb | A2BC | [
"Au",
"Ga",
"Tb"
] | [
0.25,
0.5,
0.25
] | [
79,
31,
31,
65
] | 4 | 3 | 0 | [
0,
0,
0
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PO_1001191600767076540261337 | 10011916007670765402613378598596362934318077794608052477038873018668898943983514050197646919068901523533007512310389460478049496527385973786265837481657216 | 2025-04-16T20:44:25 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.237241 | null | null | null | null | null | CO_8753798139439775040385376 | 8753798139439775040385376832241909723220926589872028965744842383653402050477344912702437655487800470206194989749894222780622450153420013350985107288220189 | 5402074082162675377398788830136494846966884729346557304153852830941538374260011154991782946298400103633895083260032044980616537600790653130582409046911641 | [
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[
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2.974079
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[
1.4870395,
1.4870395,
1.4870395
]
] | [
true,
true,
true
] | AsFeMnZn | AsFeMnZn | ABCD | [
"As",
"Fe",
"Mn",
"Zn"
] | [
0.25,
0.25,
0.25,
0.25
] | [
33,
26,
25,
30
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0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4636/MD_1144427654723162175134636.json | null | {"_oqmd_entry_id": 701843, "_oqmd_stability": 0.400681488147807, "hash": "11444276547231621751346367623861645980944656812202063941012068619403577214283522201409616638066088737577611872887794866236393390549310133200442092377278396", "id": "MD_1144427654723162175134636"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001172309874762069183290 | 10011723098747620691832902180061524274816858897654195705488064547492438457168796361108205586042982260432181781674896567568251357868112122329992445783820648 | 2025-04-16T20:49:43 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.21342 | null | null | null | null | null | CO_1187424200950487194305468 | 11874242009504871943054683615856362400713999488507462928225521673604282180330426020434019115949019486181436105949896582951528525934673268154871239481596713 | 8028525502618188783889317075632650731504658514280743213120076796903072421564051707053292572470755931619799582751553120843156494335272886956806053943706049 | [
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[
0,
0,
0
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[
5.1954435,
5.1954435,
5.1954435
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] | [
true,
true,
true
] | GeInTb | GeInTb | ABC | [
"Ge",
"In",
"Tb"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
32,
49,
65
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0,
0,
0
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PO_1001102523872589749200345 | 10011025238725897492003457630967432734263484455409130546663443270379780277451451907573849464994208498035027858780110964512978081968965203444880577850145949 | 2025-04-16T20:40:01 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0.682 | unknown | -1.530129 | null | null | null | null | null | CO_5106128691032093132436316 | 5106128691032093132436316147255599629483399984748343603665015665063985365579431410026692931273637780208485620283132935785431337507469699698764783406477091 | 12825807987343972415295711607366249224374589356439493358475763140609226515561974537853152648814862844015060386534132391307429043117962890529165538721638686 | [
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[
0,
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0
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[
2.6897755,
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... | [
true,
true,
true
] | F4Mo2 | F2Mo | A2B | [
"F",
"Mo"
] | [
0.6666666666666666,
0.3333333333333333
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9,
9,
9,
9,
42,
42
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0,
0,
0
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3127/MD_9820383047955331555873127.json | null | {"_oqmd_entry_id": 1232899, "_oqmd_stability": 0.6516105060605117, "hash": "9820383047955331555873127573144171704651941703937000487656322329894272997209980954172038871761877568480428554420856188297495000362179240380848723228791991", "id": "MD_9820383047955331555873127"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001167332010149879187678 | 10011673320101498791876781760477563245289222845036824865923777977917952634403638530381611076668220871034401305835462036045500850326009032854280490819705773 | 2025-04-17T18:37:27 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -1.916204 | null | null | null | null | null | CO_2699341271132830403447495 | 2699341271132830403447495237307194168137005866713606399242554811160563566440266682394844918704291676642452936656190798439280752103512722208352587955263328 | 8114389918387527016300092846220349826343289607596860733934960302200381944988547980891109422797060354863470214851462939698149039227199888260284599662365771 | [
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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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[
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[
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0,
3.04442072
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[
0,
2.2494905,
3.04442072
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] | [
true,
true,
true
] | AcLiO3 | AcLiO3 | A3BC | [
"Ac",
"Li",
"O"
] | [
0.2,
0.2,
0.6
] | [
89,
3,
8,
8,
8
] | 5 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0057/MD_1921366857314088599890057.json | null | {"_oqmd_entry_id": 680857, "_oqmd_stability": 0.555477710250003, "hash": "1921366857314088599890057389138669365786412782612264033586955405924729524238253613171635738073967283337178092486372715646269606971121679166430707647092472", "id": "MD_1921366857314088599890057"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001191639578031863969229 | 10011916395780318639692296023252999429642176740371092670432257983992037741985037758912453811380556549430956870298267804469682132047953286445764444984611319 | 2025-04-16T18:33:37 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -1.886664 | null | null | null | null | null | CO_3349972277441228110147315 | 3349972277441228110147315283860145765139590767739599631961062094739956037636241860627864081705367149600029945396677462710211932940443911084549654731383173 | 819525674305769065000791636450911307526391391443101125597395909257827136065904227103754102512374540766167175312323680270800804966857003282610747604437378 | [
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[
0,
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] | [
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[
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[
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[
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[
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0
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[
5.6522969100000005,
2.084669,
0
],
[
1.5664730900000001,
... | [
true,
true,
true
] | Ag2La2O5 | Ag2La2O5 | A5B2C2 | [
"Ag",
"La",
"O"
] | [
0.2222222222222222,
0.2222222222222222,
0.5555555555555556
] | [
47,
47,
57,
57,
8,
8,
8,
8,
8
] | 9 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2430/MD_9406168995363045853062430.json | null | {"_oqmd_entry_id": 360094, "_oqmd_stability": 0.3322840654813972, "hash": "9406168995363045853062430560664089360966025634679983308211907206028324681348587606632995908640678634998625262944362340844349008274554875377108819603218777", "id": "MD_9406168995363045853062430"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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[
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[
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] | [
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[
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[
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[
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1.8809294253820001,
7.295750105504001
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[
0,
0... | [
true,
true,
true
] | B4PmRb | B4PmRb | A4BC | [
"B",
"Pm",
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] | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
5,
5,
5,
5,
61,
37
] | 6 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/1360/MD_9190813541010652730221360.json | null | {"_oqmd_entry_id": 1464000, "_oqmd_stability": 0.26077143866561237, "hash": "9190813541010652730221360776091461107786889056100906485707438266565396920634696150942201397854101145006487079057205987646492047823325135299180838518434424", "id": "MD_9190813541010652730221360"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001161380318093868769221 | 10011613803180938687692214651286247914446675426874577680922723774429346226487491048730718090018794285597634782108286378792120534397356088029848397430676231 | 2025-04-16T16:54:22 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.472846 | null | null | null | null | null | CO_1190843956828838459634465 | 11908439568288384596344658321930047849073055981550299348238169440168133868713641690574357082091000911008869568283132164245496462898695179648632704042633788 | 8369218816203591280506422292552813450645755338215140114951317618481044985727409472118120581636157990323409773604484800305951688725171844270583372157574160 | [
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[
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[
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] | [
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[
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[
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3.757278319495
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[
0,
0,
1.7888380526... | [
true,
true,
true
] | Ge2Li2Tb2 | GeLiTb | ABC | [
"Ge",
"Li",
"Tb"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
32,
32,
3,
3,
65,
65
] | 6 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3415/MD_6418166957532132050163415.json | null | {"_oqmd_entry_id": 1448734, "_oqmd_stability": 0.028313638888888215, "hash": "6418166957532132050163415744203567688073198622979642158338652231040888576259329441410414058754110901241305460795459039302263042871660238330120501399585041", "id": "MD_6418166957532132050163415"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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[
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0
]
] | [
[
1.9195655,
1.9195655,
1.9195655
],
[
3.839131,
3.839131,
3.839131
],
[
0,
0,
0
],
[
5.7586965,
5.7586965,
5.7586965
]
] | [
true,
true,
true
] | CoLa2Pb | CoLa2Pb | A2BC | [
"Co",
"La",
"Pb"
] | [
0.25,
0.5,
0.25
] | [
27,
57,
57,
82
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_119765"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7861/MD_4570968474220558827547861.json | null | {"_oqmd_entry_id": 385652, "_oqmd_stability": 0.2688276686457376, "hash": "4570968474220558827547861935993761260144614919357435648479703307161727916718547491449590584799466966517674202620276277262954358656772778097397203380932233", "id": "MD_4570968474220558827547861"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1001131692476414925134777 | 10011316924764149251347771450048703838274747889531331292156652025163278774225371613537400211312502732405906099766967746829643244712155220147061070151630055 | 2025-04-16T20:12:06 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.094514 | null | null | null | null | null | CO_8987639447279890264851576 | 8987639447279890264851576255641503979898456736601471588392089229965174849398268862580574057348302393348295789881144135562534374033404427135223278402764567 | 2773766245022763064263865140594510386042437989049916765357074559080832285371507960047550135105019591518475309371078352879485891463588103332888314877139298 | [
[
0,
2.991061,
2.991061
],
[
2.991061,
0,
2.991061
],
[
2.991061,
2.991061,
0
]
] | [
[
4.4865915,
4.4865915,
4.4865915
],
[
2.991061,
2.991061,
2.991061
],
[
1.4955305,
1.4955305,
1.4955305
],
[
0,
0,
0
]
] | [
true,
true,
true
] | BeRuWZn | BeRuWZn | ABCD | [
"Be",
"Ru",
"W",
"Zn"
] | [
0.25,
0.25,
0.25,
0.25
] | [
4,
44,
74,
30
] | 4 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_429356"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6946/MD_3806933329196249998456946.json | null | {"_oqmd_entry_id": 1012631, "_oqmd_stability": 0.2843743528125, "hash": "380693332919624999845694606687793302271768912022003339055737179414964527117773452025329037834939185179867184102451741164212951647692305127428047194784437", "id": "MD_3806933329196249998456946"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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