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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[
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true,
true,
true
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0.3333333333333333,
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71
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[
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true,
true,
true
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"O",
"Sn",
"Sr"
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0.6,
0.2,
0.2
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8,
8,
8,
8,
8,
8,
50,
50,
38,
38
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0,
0,
0
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[
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0
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[
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true,
true,
true
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"Sn",
"Tc"
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0.25,
0.25,
0.25,
0.25
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26,
44,
50,
43
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0,
0,
0
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[
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[
0,
0,
0
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] | [
true,
true,
true
] | BiFeLu | BiFeLu | ABC | [
"Bi",
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"Lu"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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83,
26,
71
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0,
0,
0
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[
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3.095007
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[
0,
0,
0
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] | [
true,
true,
true
] | AlCoMgTi | AlCoMgTi | ABCD | [
"Al",
"Co",
"Mg",
"Ti"
] | [
0.25,
0.25,
0.25,
0.25
] | [
13,
27,
12,
22
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0,
0,
0
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[
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] | [
true,
true,
true
] | PbPt2Si | PbPt2Si | A2BC | [
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"Pt",
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0.25,
0.5,
0.25
] | [
82,
78,
78,
14
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0,
0,
0
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[
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[
2.10903216... | [
true,
true,
true
] | Np2O2P2Sm2 | NpOPSm | ABCD | [
"Np",
"O",
"P",
"Sm"
] | [
0.25,
0.25,
0.25,
0.25
] | [
93,
93,
8,
8,
15,
15,
62,
62
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0,
0,
0
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[
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] | [
true,
true,
true
] | BeBiScZn | BeBiScZn | ABCD | [
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"Zn"
] | [
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0.25,
0.25,
0.25
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83,
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30
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0
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[
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] | [
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true,
true
] | Co2Zn2 | CoZn | AB | [
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0.5
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27,
27,
30,
30
] | 4 | 2 | 0 | [
0,
0,
0
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true
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91
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0
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] | [
[
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4.5708405,
4.5708405
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[
1.5236135,
1.5236135,
1.5236135
],
[
3.047227,
3.047227,
3.047227
],
[
0,
0,
0
]
] | [
true,
true,
true
] | BeHgNiTi | BeHgNiTi | ABCD | [
"Be",
"Hg",
"Ni",
"Ti"
] | [
0.25,
0.25,
0.25,
0.25
] | [
4,
80,
28,
22
] | 4 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_427880"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7153/MD_3613624610102123194087153.json | null | {"_oqmd_entry_id": 1011113, "_oqmd_stability": 0.387984647036081, "hash": "3613624610102123194087153379886482250321772615769251119324997406760512382572236037046888695344345349879666121483278265210326725729103112919359778280424307", "id": "MD_3613624610102123194087153"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002067583335221576574333 | 10020675833352215765743337095113886307521587123972742648631462380010982402584885396650357197389188437827307240637635338135343854219912450323904318555810578 | 2025-04-16T15:46:01 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.304 | unknown | -1.60356 | null | null | null | null | null | CO_1665683421787578571793072 | 1665683421787578571793072461733429405861417116472379596075755730706559096608811812156542175670837399727869528245678513945609497270951159801301507432931460 | 4154529390496636733571122020532446071993986392647080382452474028786747950627560017004810304476511838239160563737979401015324516243557283508818295727174570 | [
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[
6.920812964,
0.1195874445,
8.972859514
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[
8.436... | [
true,
true,
true
] | Br16Cd4Cs8 | Br4CdCs2 | A4B2C | [
"Br",
"Cd",
"Cs"
] | [
0.5714285714285714,
0.14285714285714285,
0.2857142857142857
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35,
35,
35,
35,
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35,
35,
35,
35,
48,
48,
48,
48,
55,
55,
55,
55,
55,
55,
55,
55
] | 28 | 3 | 0 | [
0,
0,
0
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/1451/MD_1900894463606089103471451.json | null | {"_oqmd_entry_id": 7259, "_oqmd_stability": 0.03158602428571, "hash": "1900894463606089103471451986206805924057302247752715141904207504130734546033234366187860534942563143743255320940629284982674099599665267609260489019884434", "id": "MD_1900894463606089103471451"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002011914175716073221381 | 10020119141757160732213816519319389635617453299071589593767501701113530836286813624489680195745897925128008420310365731461914268772001738198569109455193084 | 2025-04-16T15:46:01 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.29095 | null | null | null | null | null | CO_1302229249722248566445617 | 13022292497222485664456177554562642645157618644693567549631909661100303597782648804344128539780219632076566120194922939484631499323870509857340113574475842 | 12057265347624334957741153114190621093267911330084741544438778654777246280325824248045272848210380806630034707865016954202400385993660067538496238980308919 | [
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[
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0
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[
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[
0,
0,
0
],
[
3.615824,
3.615824,
3.615824
]
] | [
true,
true,
true
] | PrSbSc2 | PrSbSc2 | A2BC | [
"Pr",
"Sb",
"Sc"
] | [
0.25,
0.25,
0.5
] | [
59,
51,
21,
21
] | 4 | 3 | 0 | [
0,
0,
0
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PO_1002053219328394450215035 | 1002053219328394450215035850821630080987059274159859942323519066343676418766956167295947886263994286229367555525281918048957720345602995675482841904547389 | 2025-04-16T17:10:24 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.328877 | null | null | null | null | null | CO_1901663411439537255952274 | 1901663411439537255952274474940625714902084934107608099331927475603486916200862139574896454836909723020239114077829898415747753847933714962798189658913436 | 9748688644328235172846765323540587090154385932399399978495616671001804312687411670743733575592346353011059328671295394206144439503344502152076281542160764 | [
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[
3.113766,
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[
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4.670649
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[
3.113766,
3.113766,
3.113766
],
[
0,
0,
0
]
] | [
true,
true,
true
] | MgPtTc2 | MgPtTc2 | A2BC | [
"Mg",
"Pt",
"Tc"
] | [
0.25,
0.25,
0.5
] | [
12,
78,
43,
43
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6559/MD_1276567034096448780386559.json | null | {"_oqmd_entry_id": 552806, "_oqmd_stability": 0.768533085000001, "hash": "12765670340964487803865598023778290620379678983418692203108975767320944456068893211217022087885729548102560316291860213455759256137509894476748257840934038", "id": "MD_1276567034096448780386559"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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[
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[
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[
1.812898,
1.812898,
1.812898
],
[
5.438694,
5.438694,
5.438694
]
] | [
true,
true,
true
] | Er2FeK | Er2FeK | A2BC | [
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"Fe",
"K"
] | [
0.5,
0.25,
0.25
] | [
68,
68,
26,
19
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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[
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] | [
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[
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[
2.0685820500000003,
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7.341923112999999
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[
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true,
true,
true
] | Bi12K12Na8Sn4 | Bi3K3Na2Sn | A3B3C2D | [
"Bi",
"K",
"Na",
"Sn"
] | [
0.3333333333333333,
0.3333333333333333,
0.2222222222222222,
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83,
83,
83,
83,
83,
83,
83,
83,
83,
83,
83,
19,
19,
19,
19,
19,
19,
19,
19,
19,
19,
19,
19,
11,
11,
11,
11,
11,
11,
11,
11,
50,
50,
50,
50
] | 36 | 4 | 0 | [
0,
0,
0
] | [
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[
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[
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] | [
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0
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[
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[
2.220709,
0,
2.3545595
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[
0,
0,
4.709119
]
] | [
true,
true,
true
] | MnSn3 | MnSn3 | A3B | [
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] | [
0.25,
0.75
] | [
25,
50,
50,
50
] | 4 | 2 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3700/MD_5729775558287706483053700.json | null | {"_oqmd_entry_id": 303433, "_oqmd_stability": 0.24259803828719934, "hash": "5729775558287706483053700117198429194896636338890457634904632081416853944871780526437930280370484445729658294597773576999337004516620537338116995914587093", "id": "MD_5729775558287706483053700"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002058208458483779331546 | 10020582084584837793315464400176309029075038135811396046946563375161653305199606669990180719902535185927367803490454030910664733594145940273327102446276124 | 2025-04-16T18:33:20 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.329822 | null | null | null | null | null | CO_2769010170096983849929611 | 2769010170096983849929611701300684503707627067177636595000657029620565180034608190303305458028595335421228164622742361054332495214294238119054521769720137 | 12098255231635884910729659803584080288309330105492616451418863718251487293646106184840606993016709548743597877006805106534996779096580707435781812134170475 | [
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[
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] | [
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[
4.4768415,
4.4768415,
4.4768415
],
[
0,
0,
0
]
] | [
true,
true,
true
] | AlRhW | AlRhW | ABC | [
"Al",
"Rh",
"W"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
13,
45,
74
] | 3 | 3 | 0 | [
0,
0,
0
] | [
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[
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] | [
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[
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[
5.342385382,
1.841671853,
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[
-... | [
true,
true,
true
] | Cr2FeSe4 | Cr2FeSe4 | A4B2C | [
"Cr",
"Fe",
"Se"
] | [
0.2857142857142857,
0.14285714285714285,
0.5714285714285714
] | [
24,
24,
26,
34,
34,
34,
34
] | 7 | 3 | 0 | [
0,
0,
0
] | [
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PO_1002045746854596405853500 | 10020457468545964058535003961341230704691807861035968239595233256611337865518105302451472770200749222239158866272910973252902936689226543066638381771721232 | 2025-04-16T21:52:07 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.654 | unknown | -3.128924 | null | null | null | null | null | CO_8596594197719448530394037 | 859659419771944853039403721345268926209340934317708112860717177430359786491836011446359639622434321070566257053323686524265154860336752284748309838547997 | 4474294989186817484868709748567306682262814621702640434035917610246834133678488242347479319465151035998649989234791978454064666691772375118038815714733112 | [
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[
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true,
true,
true
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"F",
"Rb",
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0.6666666666666666,
0.2222222222222222,
0.1111111111111111
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9,
9,
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37,
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23
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0,
0
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[
0,
0,
0
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[
1.680229,
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] | [
true,
true,
true
] | AsAuRhTl | AsAuRhTl | ABCD | [
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"Rh",
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] | [
0.25,
0.25,
0.25,
0.25
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33,
79,
45,
81
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0,
0,
0
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[
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true,
true,
true
] | Gd6Zn44 | Gd3Zn22 | A22B3 | [
"Gd",
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0.12,
0.88
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64,
64,
64,
64,
64,
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30,
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30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30
] | 50 | 2 | 0 | [
0,
0,
0
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PO_1002079229258623881215522 | 10020792292586238812155223621766257406816032712162458650811779847910449143620312097155776517221028481320841476589483160414455200990729744306046017521061536 | 2025-04-16T17:32:02 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.789189 | null | null | null | null | null | CO_1153773118392953008221413 | 11537731183929530082214130081913453156237119924021759624280579057420838848222589235314564004011150222632456008622869556997509366342440346589602981555183627 | 11911828780456044262220825888905600439982898342702608064166610265580254426712459577293269943594294479797900725057880989413213961289555790643710766271580414 | [
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[
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[
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1.9830885
],
[
5.9492655,
5.9492655,
5.9492655
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] | [
true,
true,
true
] | CaEuSc | CaEuSc | ABC | [
"Ca",
"Eu",
"Sc"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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20,
63,
21
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0,
0,
0
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PO_1002065529651394063072297 | 10020655296513940630722978962770940731756048203635742052565895802034240651315271917039405343638180353487287901051716457871697907353148069676289163140203508 | 2025-04-16T18:44:29 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.268404 | null | null | null | null | null | CO_6575591105640454606576069 | 6575591105640454606576069641943316601355453600483742732887226713818226468965614124580853909512022666318128666856849844487442618031478716440161504268215927 | 4092134647064424710010547078412526972932021992911864181662175881282177436030831804621955831542493857159131159782942420625469112688275241931445836732194475 | [
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0,
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[
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[
4.8504465,
4.8504465,
4.8504465
],
[
0,
0,
0
]
] | [
true,
true,
true
] | HfLuRu | HfLuRu | ABC | [
"Hf",
"Lu",
"Ru"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
72,
71,
44
] | 3 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4360/MD_7345595545004322377934360.json | null | {"_oqmd_entry_id": 933643, "_oqmd_stability": 0.273597884376676, "hash": "734559554500432237793436027691811914040927617500154101285776997169358425825671039126574567596479325949452144825253747458399911472038328799748863703947826", "id": "MD_7345595545004322377934360"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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[
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[
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[
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1.579233,
1.579233
],
[
4.737699,
4.737699,
4.737699
]
] | [
true,
true,
true
] | PmRuV | PmRuV | ABC | [
"Pm",
"Ru",
"V"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
61,
44,
23
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_736382"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/1607/MD_1098354018467524490501607.json | null | {"_oqmd_entry_id": 846652, "_oqmd_stability": 1.49436924909153, "hash": "1098354018467524490501607465406134600991549107255948399298767587479590618055383126483669790725514151219062494997131823573478726717873242889240077381838508", "id": "MD_1098354018467524490501607"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002028626054548385576909 | 10020286260545483855769094405943804199295777372968317072666640664224794704564223405818370850150714978858921798473404206437159061921163284990344136114982150 | 2025-04-16T16:50:09 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.320857 | null | null | null | null | null | CO_7665424178578912254891735 | 7665424178578912254891735515352597379133032130723327986037273707683235411562451178517941993035617372689447128482036031426374310510780734505871982809409768 | 1199816475340395002803810916661972445607750344650727226514967082306878313924294059408730160519763497730604988372468992901376203723662866591693592826922251 | [
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[
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[
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[
0,
0,
0
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[
3.041217,
3.041217,
3.041217
]
] | [
true,
true,
true
] | HgMoNi2 | HgMoNi2 | A2BC | [
"Hg",
"Mo",
"Ni"
] | [
0.25,
0.25,
0.5
] | [
80,
42,
28,
28
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9573/MD_3588887459715960150129573.json | null | {"_oqmd_entry_id": 529230, "_oqmd_stability": 0.384848198245054, "hash": "3588887459715960150129573350107915847566095333429644552728442801443015397637685555641632239918081671112542986763077633301987152202939880443345385911407752", "id": "MD_3588887459715960150129573"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002028841716604630843886 | 10020288417166046308438862446527090012367324551632748121169753997595789574398512491623186247609341296037901279455024987621123918793404815780223870329697641 | 2025-04-16T20:26:41 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.45096 | null | null | null | null | null | CO_8100687418760885561862558 | 8100687418760885561862558002152399384798780390526885526954751577024065340336848915223720879200910201955127108022628581804732515927332402593000913326939742 | 6839482201980265172200703838732897752669551926865106459562855304439163292501634450508706390612019121262018820634473979180097334027306652799396087097094113 | [
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[
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[
0,
0,
0
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[
4.2921255,
4.2921255,
4.2921255
]
] | [
true,
true,
true
] | IrMnW | IrMnW | ABC | [
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"Mn",
"W"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
77,
25,
74
] | 3 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2958/MD_1254659073153914475022958.json | null | {"_oqmd_entry_id": 904320, "_oqmd_stability": 0.667139220296038, "hash": "12546590731539144750229584983175378976709628442215987426111974161909943724665748061885055762301929335004674052555402004244056489637097145679916968822146994", "id": "MD_1254659073153914475022958"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002023782529340242781414 | 10020237825293402427814142246241014784453264476678285699664670523351531441204460929190947484604339581209172182336900625036955949541303321214935922987890112 | 2025-04-16T17:20:39 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.003078 | null | null | null | null | null | CO_1325473853796108484229346 | 13254738537961084842293468495141573202301899614993846989971583020163138325527868765296918726304437999651719706342998856899411263363596473720155880821823542 | 2770702096059197865316823595205692213599067618010297389118333129326739878877233383512385033605214391695612599048472042987015245728992496600055101312062120 | [
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[
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0.515667897108
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[
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[
0.7340973064999998,
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2.046301179
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[
0.73409... | [
true,
true,
true
] | Cd2Cu4 | CdCu2 | A2B | [
"Cd",
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] | [
0.3333333333333333,
0.6666666666666666
] | [
48,
48,
29,
29,
29,
29
] | 6 | 2 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3486/MD_1164417448686246884943486.json | null | {"_oqmd_entry_id": 1340592, "_oqmd_stability": 0.00307773166666673, "hash": "11644174486862468849434862400933552726050577869176968224235950038907334695053120161439444885305883379020530330708280942802101261870379146091045916089128351", "id": "MD_1164417448686246884943486"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002010795771268585806584 | 10020107957712685858065842575338544425083192173374604342697534609774159909848307383220038757845406570345199830452532867396896890503106300231110546243119011 | 2025-04-16T17:44:41 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.428321 | null | null | null | null | null | CO_3162488668931498277713721 | 3162488668931498277713721540341889470014550180893221158642576527487911249473338473326216979764650811003217101871370111326988113705114521145530529656991703 | 11244948579858047444080398084479859416709604244766186691213386838509704669199688303717801317205453338943836933792094508805298642184527430591579096004318098 | [
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[
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[
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[
0,
0,
0
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[
3.33666,
3.33666,
3.33666
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] | [
true,
true,
true
] | FeTaTe2 | FeTaTe2 | A2BC | [
"Fe",
"Ta",
"Te"
] | [
0.25,
0.25,
0.5
] | [
26,
73,
52,
52
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9233/MD_9311200630962521926979233.json | null | {"_oqmd_entry_id": 398892, "_oqmd_stability": 0.715227060529587, "hash": "9311200630962521926979233733933924204007614163187136328815946791932730427997601082946754445199697972526110012091206613998680177862062509947549596594682244", "id": "MD_9311200630962521926979233"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002078404714437120429757 | 10020784047144371204297574736545540929378368164261692069281843654019403713876868090648674522624378239143178939162733548965390962281092104037173007090489595 | 2025-04-16T17:19:02 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.488761 | null | null | null | null | null | CO_6787717460435125285905404 | 6787717460435125285905404413607386744617699628487804155598693927584599490775423170252536254459371404361740900156367845024476190686800112104393823734403386 | 10836188975551283474708332915524888317564370431424688350139212981891759800393976805166864798669774229240439747112680371945960116409138747674464567499783923 | [
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[
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[
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[
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2.229167263145,
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[
-1.161975376537,
1... | [
true,
true,
true
] | Ir4Sn6Yb | Ir4Sn6Yb | A6B4C | [
"Ir",
"Sn",
"Yb"
] | [
0.36363636363636365,
0.5454545454545454,
0.09090909090909091
] | [
77,
77,
77,
77,
50,
50,
50,
50,
50,
50,
70
] | 11 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3421/MD_8270586805553402300503421.json | null | {"_oqmd_entry_id": 1373729, "_oqmd_stability": 0.0, "hash": "8270586805553402300503421668770246782107235609253081560550890118927251885516055596165547744989515283582346286318114534240664276073804865536078124408212852", "id": "MD_8270586805553402300503421"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002075388372829230462763 | 10020753883728292304627635504412789389317668262592828842878435243367382325739442974934496463297412762728637611215615626764422960484678287231430986097682399 | 2025-04-16T16:08:09 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.604768 | null | null | null | null | null | CO_6185989237893948283838161 | 6185989237893948283838161907619674754104346805903644885641560548100922332723462804194245008645497911021148585048111700532159495227901517198856021534120828 | 3317055091339845999991807083720283215875191967975404776735990450964021462891912727763057180310417181236403181967368646858402838378640948787879544308504021 | [
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[
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[
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] | [
[
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[
5.0500035,
5.0500035,
5.0500035
],
[
0,
0,
0
]
] | [
true,
true,
true
] | NaPtU | NaPtU | ABC | [
"Na",
"Pt",
"U"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
11,
78,
92
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_712285"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/0847/MD_9459260823811358307530847.json | null | {"_oqmd_entry_id": 876282, "_oqmd_stability": 0.965675488187322, "hash": "9459260823811358307530847975586192591488461953276419810762645925160363305081972085668345531707756210742996840155511790675919961060380330386607851485229012", "id": "MD_9459260823811358307530847"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002060810764576351897960 | 1002060810764576351897960194947358378564683803415655901504574907869106819370978369522173901797401858582323688042248897158252645942296020176765058651327162 | 2025-04-16T17:12:24 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.119525 | null | null | null | null | null | CO_1323492860769582890560074 | 13234928607695828905600747179528219376329782893292588339922949750476257971206984317515307088458468950860990715394818119602852023160099934618133412803431706 | 4732937362480096580763243299888285962858431233951544126041797161174600083565938142777973253933406214075247493281246127082460746398164299240507538114540756 | [
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[
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[
3.314805,
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[
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[
4.9722075,
4.9722075,
4.9722075
],
[
0,
0,
0
]
] | [
true,
true,
true
] | GdPtYb | GdPtYb | ABC | [
"Gd",
"Pt",
"Yb"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
64,
78,
70
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_446163"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9411/MD_4534987467687613335709411.json | null | {"_oqmd_entry_id": 828978, "_oqmd_stability": 0.794127014063109, "hash": "4534987467687613335709411243009855575802072489294948643610071128991752995537219507641496132717066292487138165523506883334204514282834437676612633301113915", "id": "MD_4534987467687613335709411"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002088450727237628883858 | 10020884507272376288838581442249538622797488618367374873979585589417895155957567617058207522242394842527573091658679828613616560426020845175007302521273110 | 2025-04-16T15:43:52 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.371024 | null | null | null | null | null | CO_7274138544763204073668486 | 727413854476320407366848644835977565815700414424295057154247009333309969335041609661662810213710610343687981087190808148486895226329620239548815744735990 | 13294393089022432726629471796542350104644125824300703922176827705511164861339189188491712192180651304315862825481850615163876213040029039231349099739941444 | [
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[
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[
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[
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0
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[
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3.451737,
3.451737
],
[
5.1776055,
5.1776055,
5.1776055
]
] | [
true,
true,
true
] | AsEr2Tc | AsEr2Tc | A2BC | [
"As",
"Er",
"Tc"
] | [
0.25,
0.5,
0.25
] | [
33,
68,
68,
43
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_142351"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4778/MD_1614345313522028892844778.json | null | {"_oqmd_entry_id": 438834, "_oqmd_stability": 0.4722776571875, "hash": "1614345313522028892844778929165260904645903593871124487459769226605891000155304048455834201884816561305496530810373760276388808548953280128037742402615636", "id": "MD_1614345313522028892844778"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002051671615903333614519 | 10020516716159033336145199744914069626438691138933952478173833772196412034547464164047405291518296027077048562594602945002395909886976481162857890950565148 | 2025-04-16T17:07:20 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.459564 | null | null | null | null | null | CO_5757286964830701408616496 | 5757286964830701408616496455794106992257299136975682121068057592667810380747942725332564177063172210307441595115487345896525123897436707187456462315971311 | 6642972743991964384423537757041752106780621099819581022385792963284227400943315244613071200120435890123755606242027059540630247493666235726412056374782316 | [
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[
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0,
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[
3.613393924,
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0
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3.613393924
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[
0,
0,
0
],
[
1.806696962,
1.806696962,
1.806696962
]
] | [
true,
true,
true
] | HoInPu | HoInPu | ABC | [
"Ho",
"In",
"Pu"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
67,
49,
94
] | 3 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4301/MD_7961826157259358069754301.json | null | {"_oqmd_entry_id": 897337, "_oqmd_stability": 0.766592314868474, "hash": "7961826157259358069754301086142020871726357442236803834137384681946676890975505501826849824180048643488612024998167796852329175725728597572948904189630595", "id": "MD_7961826157259358069754301"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002088842499250089743832 | 10020888424992500897438323846053763783591429355715679357711283241874706372993108969238114342090390803924958160512053650093529785487854282986811737819076643 | 2025-04-16T19:05:49 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.262542 | null | null | null | null | null | CO_3741332676252697184533404 | 3741332676252697184533404180759889139365417133982912891575619366413156129152135415024064350741489338760962478050523335313692191504290601047642998485045280 | 11052661189468284714583000021963293865857634538972689543695012080309184331908574081876075043869937554903332440041991101275907245815299957001820516920825027 | [
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[
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0
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[
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0,
5.863441678
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] | [
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[
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[
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[
2.4283622933570004,
1.3992143936580002,
1.4658604195
],
[
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true,
true,
true
] | Ge2Ir2Sm2 | GeIrSm | ABC | [
"Ge",
"Ir",
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] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
32,
32,
77,
77,
62,
62
] | 6 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6905/MD_7750481727419456695936905.json | null | {"_oqmd_entry_id": 1455185, "_oqmd_stability": 0.60264039, "hash": "7750481727419456695936905378551992092075500316510782868170286433784982353986390514336181305608589627481241254359119226175591808783553722689072733805320289", "id": "MD_7750481727419456695936905"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002061007483682855126028 | 10020610074836828551260283273060579301894180661921802808242418188327104682583122446886256093082804030955686696942272970962771785493772257409288612373876388 | 2025-04-16T21:22:14 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.690846 | null | null | null | null | null | CO_1037527151011496946610788 | 10375271510114969466107889791086366384624334801159084456360227928968345798061889189416231176092615103299695821000510687412775190984080798728233494803218838 | 10553289503849944875608906890623686386052486315805960283251552964869075308755080655745090096283727938731864189181131177095816456664797674766751671637731877 | [
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[
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0.006499
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[
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6.399408
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] | [
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[
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[
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[
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1.147083321,
2.621731252
],
[
4.593432310000001,
3.4670496949999996,
2.9... | [
true,
true,
true
] | Fe2Mo6S8 | FeMo3S4 | A4B3C | [
"Fe",
"Mo",
"S"
] | [
0.125,
0.375,
0.5
] | [
26,
26,
42,
42,
42,
42,
42,
42,
16,
16,
16,
16,
16,
16,
16,
16
] | 16 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7818/MD_9956823134953797590097818.json | null | {"_oqmd_entry_id": 2833, "_oqmd_stability": 0.101700477968752, "hash": "9956823134953797590097818315518935668559110386642105464285182428042711959411368323119657036662624145728919009613287818428608995852559800832248011237256191", "id": "MD_9956823134953797590097818"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002078444542270609976043 | 10020784445422706099760439927719067022993378396532632243410546825261350267172111909778173350207679024660435390497319393030599766203691048712191407182146544 | 2025-04-16T21:37:22 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 7.983 | unknown | -3.996047 | null | null | null | null | null | CO_1135600312263191329432412 | 11356003122631913294324127800458913579260095956751672175817803003198811577871064741068282953905866663036183479826324978912948268801096540911432340854263116 | 5530175615567645900249463027890770592153815842598865762494477968728376992745768359221166851487714342122574429142659622142625784893570797046472420506460139 | [
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[
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0
],
[
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0,
6.737911
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] | [
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[
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[
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2.4779799039999997,
6.057504183000001
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[
1.816531014000000... | [
true,
true,
true
] | Al4Ca4F20 | AlCaF5 | A5BC | [
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"Ca",
"F"
] | [
0.14285714285714285,
0.14285714285714285,
0.7142857142857143
] | [
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13,
13,
13,
20,
20,
20,
20,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
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0,
0,
0
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PO_1002096241600433031192299 | 10020962416004330311922992992720785758204034300188291144704455002703738128155546717760853992619100854227910368372540016058516825673135071021635086957179027 | 2025-04-16T20:35:09 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.342192 | null | null | null | null | null | CO_1923461789378785117107778 | 192346178937878511710777893757748618129493788537896927393068942081639027539741053703127745359048869371849367646102366077098131840362924793217532463243434 | 1793106386013805338644224549557737912888952001842757480480324375619548420856018274026251162512239624408085664810124776915221394424543750426690648794270598 | [
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[
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0
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[
3.429795,
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] | [
true,
true,
true
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] | [
0.25,
0.25,
0.5
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29,
31,
92,
92
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0,
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0
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PO_1002056801443724767546610 | 10020568014437247675466103175736396137850278099900650674482773370058949078013480588138525678212981964938247622640594125679020578516572847209143589292808501 | 2025-04-16T16:32:07 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.012905 | null | null | null | null | null | CO_4465144091965009295995267 | 446514409196500929599526721774302227006064939532870632892679666019337569627701309565072004730432750275752189857162670701476036516384464926946821333819138 | 6442398085948922790120226660200211847373384891470903156270021992646911706132955089683126044063922201574152653415038051450997104734598905512368925179663482 | [
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[
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1.57084
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[
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4.71252
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] | [
true,
true,
true
] | Re3Ta | Re3Ta | A3B | [
"Re",
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] | [
0.75,
0.25
] | [
75,
75,
75,
73
] | 4 | 2 | 0 | [
0,
0,
0
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PO_1002080845703737845696584 | 10020808457037378456965840738387633521629858638315887517753311845423077554528816885874942210661317234221072271526320062370036348539182352413798295833646089 | 2025-04-16T21:43:25 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.128478 | null | null | null | null | null | CO_3850085201360708208822494 | 385008520136070820882249488376304518453867643542522124778527405772567657126927146255872256270809229354371192449465548222794652785986505984159384397356244 | 3671238675989832808252025519146441081035389399058160038960892367260681086737474626792407994949008823394011546243056552565686413070460017401911282037751323 | [
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[
0,
0,
0
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[
4.784508,
4.784508,
4.784508
]
] | [
true,
true,
true
] | HgLiZn2 | HgLiZn2 | A2BC | [
"Hg",
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"Zn"
] | [
0.25,
0.25,
0.5
] | [
80,
3,
30,
30
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0,
0,
0
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[
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1.795553814243,
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[
0,
0,
3.... | [
true,
true,
true
] | B4HfW | B4HfW | A4BC | [
"B",
"Hf",
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] | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
5,
5,
5,
5,
72,
74
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0,
0,
0
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[
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[
6.249999999999999e-7,
3.24936225,
5.415458125
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[
3.064... | [
true,
true,
true
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"Ti",
"V"
] | [
0.5,
0.25,
0.25
] | [
75,
75,
75,
75,
75,
75,
75,
75,
22,
22,
22,
22,
23,
23,
23,
23
] | 16 | 3 | 0 | [
0,
0,
0
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[
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[
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[
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1.852301
],
[
5.556903,
5.556903,
5.556903
]
] | [
true,
true,
true
] | Er2MgSn | Er2MgSn | A2BC | [
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"Mg",
"Sn"
] | [
0.5,
0.25,
0.25
] | [
68,
68,
12,
50
] | 4 | 3 | 0 | [
0,
0,
0
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PO_1002028308962265205452602 | 10020283089622652054526026532784049734597770207600496093923621210979237448313946658460283991770902208077125297440307907976607664803056868452095765927747033 | 2025-04-16T20:47:06 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.242771 | null | null | null | null | null | CO_8591403317270868085040677 | 8591403317270868085040677625012573272829269760602699334756929369171070970359378520023932001900360161697337376359557571772494545740836853219365569163399914 | 2595235800856176576006426436099756727750875152929149725793122409673144989470772103386266191736459713896946190672485542433228311659934459406451824366914368 | [
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[
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[
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[
0,
0,
0
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] | [
true,
true,
true
] | CdPtRh | CdPtRh | ABC | [
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"Pt",
"Rh"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
48,
78,
45
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0,
0
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PO_1002015717301878901994858 | 1002015717301878901994858549131279950741434953123108727621039121319726948618040175430689798226814865028274744540270563576527535523154207461004887945072766 | 2025-04-16T16:03:49 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.060036 | null | null | null | null | null | CO_4214340776851791514462756 | 4214340776851791514462756328010520574813801079190649804858090073694764371613047938126465385394400089122349173226907616593683597451811859740366115401887496 | 4830219451589725803220311376817026309502941073882864001065343439900941669918847008740683526678922481954949102150017755359394985611834429136012554740234618 | [
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[
4.324578000000001,
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] | [
true,
true,
true
] | CuFe2Ga | CuFe2Ga | A2BC | [
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] | [
0.25,
0.5,
0.25
] | [
29,
26,
26,
31
] | 4 | 3 | 0 | [
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0,
0
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PO_1002076493539735057978442 | 10020764935397350579784422118769670315330991347193856504206064272850465183759744894339312748090737350870950362703496039492501740598542198018933766639628900 | 2025-04-17T18:26:41 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.339028 | null | null | null | null | null | CO_5394135208167803655337340 | 5394135208167803655337340974359850727474478327851176424973174057776120113779460309069936425365030396514603632472316053518321242894753503026608811162574084 | 11359165257915909744281042457998973921861220149185884185602625533356704916695889349811735343058344664390281053115257824992801479106747339161164982944652137 | [
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[
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[
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1.596836
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] | [
true,
true,
true
] | FeGaHgZn | FeGaHgZn | ABCD | [
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"Zn"
] | [
0.25,
0.25,
0.25,
0.25
] | [
26,
31,
80,
30
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0,
0
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PO_1002035913327413641247082 | 10020359133274136412470829428932626288238437681263000451840955804260087422957543956155392624072173247693076165773210678936271542773520555179210290688888613 | 2025-04-16T15:23:10 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.35809 | null | null | null | null | null | CO_1294705579664426456089766 | 1294705579664426456089766100996243799610153255626945351328690280751418472281815135861282977826374773050489652483393962889411935267459590310449468178562298 | 5558533504724407263862147480296907879847041282707196546589213461051114643300021826059490234149230870160558620529237580959404247409042299898225220065680751 | [
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[
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[
4.5784020000000005,
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] | [
true,
true,
true
] | CoPt2Ru | CoPt2Ru | A2BC | [
"Co",
"Pt",
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] | [
0.25,
0.5,
0.25
] | [
27,
78,
78,
44
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0,
0,
0
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PO_1002069836469901222509507 | 10020698364699012225095078725610326873267242742839545303407133565939840131152659359439955746631923647728525071802961345714315727660685671213221586699933426 | 2025-04-16T18:05:35 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.128204 | null | null | null | null | null | CO_6781783405319213521610460 | 6781783405319213521610460049068565118731736350282923941194959757527610485456576731956719275299532907569652596368979050792634851648229422411342456894912641 | 3584367893082735868016938370225972721340105245775753444104264041894964081044884895195996405489873712135065456412365901921448991486141857143018686390285832 | [
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0,
0,
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[
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] | [
true,
true,
true
] | AcAuTh | AcAuTh | ABC | [
"Ac",
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] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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89,
79,
90
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0,
0,
0
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[
0,
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[
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] | [
true,
true,
true
] | Be2BiTi | Be2BiTi | A2BC | [
"Be",
"Bi",
"Ti"
] | [
0.5,
0.25,
0.25
] | [
4,
4,
83,
22
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0,
0,
0
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[
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[
4.884993,
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4.884993
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] | [
true,
true,
true
] | Ga2InNi | Ga2InNi | A2BC | [
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"Ni"
] | [
0.5,
0.25,
0.25
] | [
31,
31,
49,
28
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0,
0,
0
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[
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[
4.6630545,
4.6630545,
4.6630545
]
] | [
true,
true,
true
] | Cr2OsY | Cr2OsY | A2BC | [
"Cr",
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"Y"
] | [
0.5,
0.25,
0.25
] | [
24,
24,
76,
39
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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[
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[
0,
0,
0
],
[
3.470588,
3.470588,
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] | [
true,
true,
true
] | GaLiMgSn | GaLiMgSn | ABCD | [
"Ga",
"Li",
"Mg",
"Sn"
] | [
0.25,
0.25,
0.25,
0.25
] | [
31,
3,
12,
50
] | 4 | 4 | 0 | [
0,
0,
0
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[
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[
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5.3088
]
] | [
true,
true,
true
] | Cd2KRh | Cd2KRh | A2BC | [
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"K",
"Rh"
] | [
0.5,
0.25,
0.25
] | [
48,
48,
19,
45
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0,
0
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[
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[
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]
] | [
true,
true,
true
] | CoEr2Yb | CoEr2Yb | A2BC | [
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"Er",
"Yb"
] | [
0.25,
0.5,
0.25
] | [
27,
68,
68,
70
] | 4 | 3 | 0 | [
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0,
0
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[
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],
[
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]
] | [
true,
true,
true
] | B2HfYb | B2HfYb | A2BC | [
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"Hf",
"Yb"
] | [
0.5,
0.25,
0.25
] | [
5,
5,
72,
70
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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PO_1002065913589721079363857 | 10020659135897210793638575009712736233422946045800832067688681673817825737564040427696671183442314618399555270429661260526231945947523024717585707023611619 | 2025-04-16T16:09:58 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.600237 | null | null | null | null | null | CO_7894163626550726797449771 | 7894163626550726797449771729338902149569479865157852184467286846736644579465940882357318129590203376220843151689631454419953179058190614280910478036817459 | 8871677712899662528275876415742383261440619165611344021977345553404596846041489676839025550761866491886820622586595074390593661973477361074728134662667741 | [
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[
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[
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5.906031456
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[
0,
0,
0
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] | [
true,
true,
true
] | Os2Si2Zr | Os2Si2Zr | A2B2C | [
"Os",
"Si",
"Zr"
] | [
0.4,
0.4,
0.2
] | [
76,
76,
14,
14,
40
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0,
0,
0
] | [
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PO_1002242050128985373101904 | 10022420501289853731019042029762807021991091533252300928604977523003259361873895520897766026780064531003123832076037380092043410860213217838041458254619201 | 2025-04-16T21:13:40 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0.22 | unknown | -1.665057 | null | null | null | null | null | CO_7206119855933885273556997 | 7206119855933885273556997686874213170066185544639881611675543307821775186694946284418609251415058669920545568331301592691713747036009019876822845803841961 | 11906513456774960345674931158645930511245977197237546818558073810701477995499909709761614474164197589742388586050696515665875997928275359984134696588177238 | [
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[
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[
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[
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],
[
5.6224872,
0,
1.8222005
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[
3.5140545,
1.82220... | [
true,
true,
true
] | Be2O5Pb2 | Be2O5Pb2 | A5B2C2 | [
"Be",
"O",
"Pb"
] | [
0.2222222222222222,
0.5555555555555556,
0.2222222222222222
] | [
4,
4,
8,
8,
8,
8,
8,
82,
82
] | 9 | 3 | 0 | [
0,
0,
0
] | [
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PO_1002256654265073381273357 | 10022566542650733812733577858338534977468136397431560723664555157491595498138568861280743286901377043205384020025573678870637451889295672167894441848706408 | 2025-04-16T21:57:13 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.038235 | null | null | null | null | null | CO_1421406775741326175785609 | 1421406775741326175785609212412711432802181850970685991511480010791360165173336697880805323209953470877676047088227204043000585982846465736612930651216624 | 4686867638197918188033538102964283422122315349292280365492370122321413479970000204843536701164647664386429934516299473096350169472472758735091995688234601 | [
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[
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[
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[
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1.929993881
],
[
5.789981643,
5.789981643,
5.789981643
]
] | [
true,
true,
true
] | LuPb2Tl | LuPb2Tl | A2BC | [
"Lu",
"Pb",
"Tl"
] | [
0.25,
0.5,
0.25
] | [
71,
82,
82,
81
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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PO_1002232891473528148799015 | 10022328914735281487990155590475946318391525203698468622899331566676794017699224213054501348589106323770778730500287547917832873255948832343348879399005051 | 2025-04-16T21:51:46 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.000107 | null | null | null | null | null | CO_1037870267042795656352644 | 10378702670427956563526443913432751662318013436650140137509578657647296418485121106322946999811596224582056080147312754567415098921863010555338903091486606 | 12187292679900659842576020878875000698052569862004740424427828474628619464812389653991134940914857874352767674861279843720715005015882307056601239300909894 | [
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[
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[
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2.437502467496,
1.35387193725
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[
2.1119940011170004,
1.216924020504,
4.06161581175
]
] | [
true,
true,
true
] | Cu2Te2 | CuTe | AB | [
"Cu",
"Te"
] | [
0.5,
0.5
] | [
29,
29,
52,
52
] | 4 | 2 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2000/MD_4849609948563439429492000.json | null | {"_oqmd_entry_id": 1472964, "_oqmd_stability": 0.06318543250000004, "hash": "4849609948563439429492000285592570390081380460164016477823213947823866234596358522075868903636051287765715437842334199542838807012369840020776538937174436", "id": "MD_4849609948563439429492000"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002203848093176726936170 | 10022038480931767269361703794765917391847390638758467246258394528057046316062019390431551089786975478165826440219444156066410146197341817810366731075642002 | 2025-04-16T17:13:47 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.549923 | null | null | null | null | null | CO_5616787086787170550345831 | 5616787086787170550345831446321870262942636323504563367875116762934954924407489662736524271254436818183875255202854487705616813797633941160985118452802800 | 1152005526231051850687586210839726976714559397610576686219624377742986554413936384997975842457083088006092801159387696561023098793070061096585752510262635 | [
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0,
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[
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0
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[
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[
0,
0,
0
],
[
4.110934,
4.110934,
4.110934
]
] | [
true,
true,
true
] | KScSm2 | KScSm2 | A2BC | [
"K",
"Sc",
"Sm"
] | [
0.25,
0.25,
0.5
] | [
19,
21,
62,
62
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_114684"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2520/MD_4074108927035791484662520.json | null | {"_oqmd_entry_id": 375619, "_oqmd_stability": 0.549923213750001, "hash": "4074108927035791484662520871408229388364380587312573644800491940484650097569921592041402847484798486782409813876649810386368881377580312167905779333938228", "id": "MD_4074108927035791484662520"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002249559539366393274184 | 10022495595393663932741841591930864886158748412817129228489356861741422606376295367448889659794909818284926072094600715165410172906444219049865337035318695 | 2025-04-16T15:44:54 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.240139 | null | null | null | null | null | CO_3150546362822100974137754 | 3150546362822100974137754183006207131776963979499527684896730711812236686161072283049344126705545787223146964763864791801825104737857858779972350742292283 | 3324793304427353144567933636264820943848465877453271383749830222338280073251230720090297969327061559928478340462408721859717865104152236477502679785401287 | [
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[
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[
2.684416,
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0
]
] | [
[
1.342208,
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[
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4.026624
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[
0,
0,
0
],
[
2.684416,
2.684416,
2.684416
]
] | [
true,
true,
true
] | BBeCoMg | BBeCoMg | ABCD | [
"B",
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"Co",
"Mg"
] | [
0.25,
0.25,
0.25,
0.25
] | [
5,
4,
27,
12
] | 4 | 4 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2716/MD_5959169931864080978022716.json | null | {"_oqmd_entry_id": 731763, "_oqmd_stability": 0.481274584953214, "hash": "5959169931864080978022716224667310571781718501764334730431298103822129058317891312368276578205177412974567751581364264528687581461829715537049808473467281", "id": "MD_5959169931864080978022716"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002288675767128424760549 | 10022886757671284247605498470506577270868862588791469471145608777011617947275322072212522711339636120233055366861074606608696913661891337590556240315004539 | 2025-04-16T18:07:46 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.741405 | null | null | null | null | null | CO_7612909747719702179642465 | 7612909747719702179642465387993316570666201610760444666812611195774879495061012604753868791141531985226685776040192590389271325761328325394521424394317805 | 12939313901484448503348963633280996079668967234721499663185929225869936939129857480431713329369952626138168472910232267897073817095584864989521227692205468 | [
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[
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] | [
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],
[
5.84025,
5.84025,
5.84025
],
[
0,
0,
0
]
] | [
true,
true,
true
] | HoPrY | HoPrY | ABC | [
"Ho",
"Pr",
"Y"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
67,
59,
39
] | 3 | 3 | 0 | [
0,
0,
0
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7553/MD_2408257129631663963557553.json | null | {"_oqmd_entry_id": 858768, "_oqmd_stability": 0.741405484722223, "hash": "2408257129631663963557553612849587701685923593526561596453290630927018005342216163979263186626207228249759611581092465902725970934016632481106686623518110", "id": "MD_2408257129631663963557553"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002200758994101913967510 | 10022007589941019139675100691665187037384103549853961117449745703055165861195757389611010829007043199012068155266646685297410440610003890356038968247891636 | 2025-04-16T17:17:12 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0.223 | unknown | -1.368099 | null | null | null | null | null | CO_3275096451534785340779734 | 3275096451534785340779734303700679899476178230612914663375651024216393312574028472560082037933274179915754559403826169262697293441919324154196179513111885 | 13237981748683058451135827379055497061231466323710374362961044485094860476409688003063001719547888984685903082530547631260459851396356408144863122540166131 | [
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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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6.229302688800001,
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],
[
0.9499604165000001,
4.5498681288... | [
true,
true,
true
] | O6Re2Sn2 | O3ReSn | A3BC | [
"O",
"Re",
"Sn"
] | [
0.6,
0.2,
0.2
] | [
8,
8,
8,
8,
8,
8,
75,
75,
50,
50
] | 10 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3745/MD_1696815534749933464963745.json | null | {"_oqmd_entry_id": 692670, "_oqmd_stability": 0.31827840625000237, "hash": "1696815534749933464963745144878436985953404293237273917641132667456240839515891378666720589960280822724582911374288816318840568478016547664092747737740415", "id": "MD_1696815534749933464963745"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002255622832084489353748 | 10022556228320844893537481086159027416233839232529361581502539180064812241071627899400081051459558957259402438747045841582914653199462988588798576980481318 | 2025-04-16T18:26:51 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.077139 | null | null | null | null | null | CO_6032338210654601927443635 | 6032338210654601927443635221582825329976332409465528015969736555319337995357174175222605510044251026387237455702076899900542621548381564587427114459202294 | 9562329892533370391990274451457731146798310669729289520424494528030636654629414629550961264163494842653289316838034170886361003682984103971338339375656840 | [
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[
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] | [
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[
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0
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[
3.184235,
3.184235,
3.184235
],
[
1.5921175,
1.5921175,
1.5921175
]
] | [
true,
true,
true
] | CoGaNiY | CoGaNiY | ABCD | [
"Co",
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"Ni",
"Y"
] | [
0.25,
0.25,
0.25,
0.25
] | [
27,
31,
28,
39
] | 4 | 4 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/1931/MD_6641360684817418178031931.json | null | {"_oqmd_entry_id": 771522, "_oqmd_stability": 0.37881319923718, "hash": "6641360684817418178031931378111493133940415862455039228800206063866783946747218209198009963468266093252911968977231283716240179890491036357694919503549999", "id": "MD_6641360684817418178031931"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002204841547567670461216 | 1002204841547567670461216538265832464929587810312635858540081955090943772479009284676125454024655621287419780427784154329774985556431442445799971314436402 | 2025-04-16T15:18:29 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.092186 | null | null | null | null | null | CO_8922099808190047377591958 | 8922099808190047377591958806761287889866705845025858627287857014114594275943381560247203772386605862358167841204726408464840430762383808132178553875086108 | 4808177155354673029707805661961546479015464269440522578273808994324654170806437924421556896966252192297220072721578965444467849241640055368373752038744478 | [
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[
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[
4.6791320505,
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] | [
true,
true,
true
] | Ga2IrPd | Ga2IrPd | A2BC | [
"Ga",
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"Pd"
] | [
0.5,
0.25,
0.25
] | [
31,
31,
77,
46
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0,
0,
0
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PO_1002237629775792163139768 | 10022376297757921631397689542408322768538067244098005725599994136957809054400500502580814604319356245466791903563799985466263946207118474824190393628995414 | 2025-04-16T21:27:46 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.505778 | null | null | null | null | null | CO_2302215990518029738907230 | 2302215990518029738907230363533527522655822420539276485836521174096877807996356966149194853746011364426050998396743359076622129107539854471444799100353086 | 11600657873114512597108675907774489198271846929319323069776531308959069467331908597068236260372861755990148727297142623222030086009867522285793997384600267 | [
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[
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1.7951175
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[
5.3853525,
5.3853525,
5.3853525
]
] | [
true,
true,
true
] | AsTlYb | AsTlYb | ABC | [
"As",
"Tl",
"Yb"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
33,
81,
70
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0,
0,
0
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PO_1002216116029420634099635 | 10022161160294206340996354185653734649877935032822444700062987374754214788613452780702422084314348158889806458281601331848491907251483629537370440859870360 | 2025-04-17T18:37:27 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -1.474053 | null | null | null | null | null | CO_3296304790999335991907707 | 3296304790999335991907707850871772937552228649090521343101783951061090976591153263666656328737304221614400579572664922688467975082004694215937057982038079 | 2626448788367563401370942320209715398621138917647566942835062563059951305312212273895989390785124311884234230933597022421419092737392911106003027409072243 | [
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[
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[
0,
2.034666595,
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[
0,
0,
5.27224740... | [
true,
true,
true
] | Eu2O2Sb2Zn2 | EuOSbZn | ABCD | [
"Eu",
"O",
"Sb",
"Zn"
] | [
0.25,
0.25,
0.25,
0.25
] | [
63,
63,
8,
8,
51,
51,
30,
30
] | 8 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_593804"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9282/MD_5786303979708275014749282.json | null | {"_oqmd_entry_id": 1367960, "_oqmd_stability": 0.2413831503125, "hash": "5786303979708275014749282714574945206354063031259176173800118010498037769879066160062529452777665256270409416860997913666980750086209534741623401734359028", "id": "MD_5786303979708275014749282"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002258032073343541563786 | 10022580320733435415637868190831283830645575049081225569746692198612483680102021762520661185894650202050952859233163173685569340788296296568906244168827951 | 2025-04-16T17:29:28 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 1.353 | unknown | -3.227741 | null | null | null | null | null | CO_9899637876706205200974707 | 9899637876706205200974707594329458966983305731816746539654331061472222352166112531284228017777676077184489379973547325294282619432682259319495735529300891 | 11389172937798181650136954661332020066445790784242550742481286925504614703685964348033357430009891525696082528784753776272606182363955771778373668267111412 | [
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[
0,
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] | [
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[
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[
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[
6.52894872,
0,
2.104824
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[
3.97138,
2.104824,
... | [
true,
true,
true
] | Dy2O5Yb2 | Dy2O5Yb2 | A5B2C2 | [
"Dy",
"O",
"Yb"
] | [
0.2222222222222222,
0.5555555555555556,
0.2222222222222222
] | [
66,
66,
8,
8,
8,
8,
8,
70,
70
] | 9 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_274605"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/8410/MD_8000022275804904411528410.json | null | {"_oqmd_entry_id": 356468, "_oqmd_stability": 0.470466370823815, "hash": "8000022275804904411528410436432249487191467772996337709089373738243662956830126419380713488170528615388181774900622810951070241389941906705060810334245286", "id": "MD_8000022275804904411528410"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002247205355915555532832 | 10022472053559155555328329928633250839455275094371934555417381966550881135018395693598382796263304592474772077379027647443366658260316231104089537843025531 | 2025-04-16T18:31:03 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.631239 | null | null | null | null | null | CO_1289414961847887031698966 | 12894149618478870316989665725266797065558073610720872283794447595543942751114517499930162482145904370579871599851824646373551016725359350605298924699083318 | 10566701950766803873880031151739889156632892449074771420731149055877794315426531248632464164497946735414018216743468917137402095721406740020069368339740216 | [
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[
3.161424,
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] | [
[
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[
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3.161424
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[
0,
0,
0
],
[
4.7421359999999995,
4.7421359999999995,
4.7421359999999995
]
] | [
true,
true,
true
] | BeBiRu2 | BeBiRu2 | A2BC | [
"Be",
"Bi",
"Ru"
] | [
0.25,
0.25,
0.5
] | [
4,
83,
44,
44
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_327175"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2749/MD_1125169251804599439682749.json | null | {"_oqmd_entry_id": 738829, "_oqmd_stability": 0.740348336825571, "hash": "11251692518045994396827491812886599474420854465929848312386476557571931219717289144596439941207055390940861272633336104995543138037921542724033462218537264", "id": "MD_1125169251804599439682749"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002270763384708374405793 | 10022707633847083744057932684356042828277400993575381593810657960636479953255872278485540477503843048044336109049914904627699565003962263484762228524735764 | 2025-04-16T17:47:45 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.190801 | null | null | null | null | null | CO_2373198551803490553524151 | 2373198551803490553524151970717475602596142157480022627680452151627483785378370645422171022610267600536018908311785174819408129009706292645142999888427134 | 11492807266683518899368101794243849095004664529862285988014899671211531247493272712201509775343274432914557767986908687148048447545130210303589049835663129 | [
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[
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[
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] | [
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[
0,
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0
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[
4.8575219999999995,
4.8575219999999995,
4.8575219999999995
],
[
3.238348,
3.238348,
3.238348
]
] | [
true,
true,
true
] | HgPt2Si | HgPt2Si | A2BC | [
"Hg",
"Pt",
"Si"
] | [
0.25,
0.5,
0.25
] | [
80,
78,
78,
14
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_330181"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3580/MD_1192269240661628315793580.json | null | {"_oqmd_entry_id": 741478, "_oqmd_stability": 0.732782428758434, "hash": "11922692406616283157935803927105811109177841136384013223948388648045064919772031908097743862294906344178715041294446304613553527307293920240450275956867151", "id": "MD_1192269240661628315793580"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002216264486694875224665 | 10022162644866948752246651319652884555392013352913831774960076520597102803757429633848408991767790445732995997084707608652465124457195497838068316299372673 | 2025-04-16T20:56:28 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.254685 | null | null | null | null | null | CO_4141317030391484727142429 | 4141317030391484727142429927401908880182288001762487398944739306555554719117953919813258063565265684550915475972132224435175294721544419247440268188975308 | 6140499131964347250712104287798647992107181403871093333066545330819347010538358307539519218126119647418971442032983388381586580302211172444837058207663603 | [
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[
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4.439739
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[
1.479913,
1.479913,
1.479913
]
] | [
true,
true,
true
] | AsFeNiZn | AsFeNiZn | ABCD | [
"As",
"Fe",
"Ni",
"Zn"
] | [
0.25,
0.25,
0.25,
0.25
] | [
33,
26,
28,
30
] | 4 | 4 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4349/MD_1313795459105130906954349.json | null | {"_oqmd_entry_id": 705370, "_oqmd_stability": 0.492405213125, "hash": "13137954591051309069543493154652146832126969287767446878753605760470573565349292381966342929140200480951616446605579274205193687965153440279427489607982367", "id": "MD_1313795459105130906954349"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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[
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] | [
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[
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2.850434,
2.850434
],
[
4.275651,
4.275651,
4.275651
]
] | [
true,
true,
true
] | AsCrFeNi | AsCrFeNi | ABCD | [
"As",
"Cr",
"Fe",
"Ni"
] | [
0.25,
0.25,
0.25,
0.25
] | [
33,
24,
26,
28
] | 4 | 4 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/9250/MD_1675332890416446975819250.json | null | {"_oqmd_entry_id": 705418, "_oqmd_stability": 0.266617632864575, "hash": "1675332890416446975819250529843988444882449335129098531817218602127298837293456242317239404217498747327205498883604137410434523871683628562178226742932044", "id": "MD_1675332890416446975819250"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002231225486118394298427 | 10022312254861183942984273912507982682569057083854973872524167912938268384927345364599304273742778652019729601692771495049738631696305261970276347885208191 | 2025-04-17T18:26:41 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.483664 | null | null | null | null | null | CO_1236279363285275876129487 | 12362793632852758761294874641866377871358980938002259203529751859251049802925178636996599215841462662354066623366333034577037008295247111445771231625068005 | 4077419996555334192817035769226545817731822334370633767951439573180014728221705459757563289801275059847105879532432254240444757695511455162148570941149729 | [
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[
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[
0,
0,
0
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[
4.7179305000000005,
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4.7179305000000005
]
] | [
true,
true,
true
] | CaCoRu2 | CaCoRu2 | A2BC | [
"Ca",
"Co",
"Ru"
] | [
0.25,
0.25,
0.5
] | [
20,
27,
44,
44
] | 4 | 3 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7643/MD_3088017704500783709057643.json | null | {"_oqmd_entry_id": 1043234, "_oqmd_stability": 0.4878869649999999, "hash": "3088017704500783709057643991713939137485751043947857538460823450215892411812303791041194323006250275830874170038639167227603393118652159091301106996945109", "id": "MD_3088017704500783709057643"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002241593285543576558970 | 10022415932855435765589700187180663811289832249586019326173720456338235850707218826947323484310747371777073037823880584928050920681299075541083028696378076 | 2025-04-16T17:03:28 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.548876 | null | null | null | null | null | CO_7800639996331265906641464 | 7800639996331265906641464954900371228124999653053409146615407341313659824812232326800298583941585882506201665520552081464296729812110578561268704667799741 | 12593233675952752954790786222908718234170055202366360852058249623888467822934886591011443378895678806495448407932604895610413280378497283958384622350262908 | [
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[
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[
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0
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[
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[
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[
0,
0,
0
],
[
3.630183,
3.630183,
3.630183
]
] | [
true,
true,
true
] | NpOsPm2 | NpOsPm2 | A2BC | [
"Np",
"Os",
"Pm"
] | [
0.25,
0.25,
0.5
] | [
93,
76,
61,
61
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_34577"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6633/MD_8342234328394564292136633.json | null | {"_oqmd_entry_id": 400697, "_oqmd_stability": 0.548875664062499, "hash": "8342234328394564292136633954037831396742456199070334542664836241992101987128742096757956161439340708588730223773509732858233782456505816211951053454023562", "id": "MD_8342234328394564292136633"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002202468081330392547148 | 10022024680813303925471489641961229091993182840165317619463103664863813874323262115866870632359434367209328792481263329100712937167381497441820667138774612 | 2025-04-16T16:07:11 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.990204 | null | null | null | null | null | CO_1280455638903579724359285 | 12804556389035797243592858491628322677132870370469823075247701083303952800993716539976483306990198062559791086557876108552850149743686492453941743731876299 | 10985380039295494345439671330848897369661019650561910365051833871191841935381371653699110543595344179403569610607094487591487808752241147291777872993723564 | [
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[
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[
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0
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] | [
[
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[
4.881543,
4.881543,
4.881543
],
[
0,
0,
0
]
] | [
true,
true,
true
] | CuLaTa | CuLaTa | ABC | [
"Cu",
"La",
"Ta"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
29,
57,
73
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_694993"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7405/MD_1109192111954367938117405.json | null | {"_oqmd_entry_id": 963048, "_oqmd_stability": 1.1030439313975307, "hash": "11091921119543679381174057965091023713599038343107864389649900877022588185768133901492371654598808041988334391375732759420454577515341395384698604887494580", "id": "MD_1109192111954367938117405"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002297193739321782111995 | 10022971937393217821119952484950955044774311452119694005336554160580073847655033062203978584826482371404760934132102121749951929948096661649292225261772677 | 2025-04-16T15:42:59 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.345525 | null | null | null | null | null | CO_1069291521199678267526933 | 10692915211996782675269338920682530816489335628102823302108455531981450134296718872765949640242017222672652418904717736491744869928563541189360908910935217 | 6847000498765379047337238097767130129605337392510979591220297099649673195277317420330576179864844789149502779852828440942221737960427107246474850596173284 | [
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[
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[
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[
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[
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[
0,
0,
0
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[
4.7360562615,
4.7360562615,
4.7360562615
]
] | [
true,
true,
true
] | AuMnMo2 | AuMnMo2 | A2BC | [
"Au",
"Mn",
"Mo"
] | [
0.25,
0.25,
0.5
] | [
79,
25,
42,
42
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_582073"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6927/MD_3591555908817063568596927.json | null | {"_oqmd_entry_id": 1142000, "_oqmd_stability": 0.387525448275864, "hash": "3591555908817063568596927359600523987442814349622978283535718138667803973890654467631380625517087524394043929961176147504551092807495032180781527376185401", "id": "MD_3591555908817063568596927"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002217396106657939259175 | 10022173961066579392591751842202776841185388034541852065203063385854080429846468323152893737448275642166482772570105193782648651664682360145115408246246805 | 2025-04-16T18:43:26 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.060156 | null | null | null | null | null | CO_2328771454780720869922580 | 2328771454780720869922580167929754989483210909563462365494393577716379137827347782784510887216332713684342799137153640409652382434023528267419434938864126 | 13178958485165846704592254629338584562594514605887665443084202586283013991161350595815756044284581711620827250679689602784312727111136401785768990461950109 | [
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[
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[
3.362089,
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0
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] | [
[
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1.6810445
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[
5.0431335,
5.0431335,
5.0431335
],
[
0,
0,
0
]
] | [
true,
true,
true
] | BiPuZn | BiPuZn | ABC | [
"Bi",
"Pu",
"Zn"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
83,
94,
30
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_764989"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/2503/MD_7347877320078860101072503.json | null | {"_oqmd_entry_id": 914785, "_oqmd_stability": 0.199626808832353, "hash": "7347877320078860101072503467649012129654560371209609223444705247669271955729894712262274331778345131999642885691616698506098311386727120190938309984497442", "id": "MD_7347877320078860101072503"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002280851763024932736323 | 10022808517630249327363233776819766234420727038050289676639975235823951056421577152050406799114848555944163692841374721238001662781479058849812196858557879 | 2025-04-16T17:18:18 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.274979 | null | null | null | null | null | CO_6030546763087399147137762 | 6030546763087399147137762952898526327739731413844291561794496564629593416158116877827022258386094885992834421680392668309392492223587809359247375017524197 | 518223783826978014686357302122548530772512055128622134011580061146118332192191552970806259199540273880670907225698456026469522160609178469462332903520963 | [
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[
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[
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] | [
[
0,
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0
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[
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3.366258
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[
1.683129,
1.683129,
1.683129
],
[
5.049387,
5.049387,
5.049387
]
] | [
true,
true,
true
] | Ge2RhTl | Ge2RhTl | A2BC | [
"Ge",
"Rh",
"Tl"
] | [
0.5,
0.25,
0.25
] | [
32,
32,
45,
81
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_45411"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/7076/MD_1918905783734137649777076.json | null | {"_oqmd_entry_id": 434456, "_oqmd_stability": 0.552670385624999, "hash": "1918905783734137649777076859577055234290997923381130078880285236040336388996361402565193532930644772988660916290586665456169179835101598359681437098807204", "id": "MD_1918905783734137649777076"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002261010909791555520810 | 10022610109097915555208107196832538791743939163677742486556616492659362751194396588988823998809239854480669346205843820420606953520770678527428834548046050 | 2025-04-16T16:10:12 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -1.214231 | null | null | null | null | null | CO_6007702660948523669652658 | 6007702660948523669652658819475320320137122912864738555793474193530203210548261009311148027962418002091474631398330894389210237276987228209357847308649268 | 5997596276122889808225887613219510772541422549799609747796054933468566012206377057934348823597595161489199477873807287029584306862885039344962177641886464 | [
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0
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[
0,
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0
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[
0.000002,
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5.908472
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] | [
[
8.439999999999999e-7,
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2.493375184
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[
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2.700736702,
3.4150968159999997
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[
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1.358486798,
0.00135894856
],
[
1.6490785000000001,
4.064635798,
5.908472
],
[
1.649077072,
0.00763134018,... | [
true,
true,
true
] | N2O2Ru2Yb2 | NORuYb | ABCD | [
"N",
"O",
"Ru",
"Yb"
] | [
0.25,
0.25,
0.25,
0.25
] | [
7,
7,
8,
8,
44,
44,
70,
70
] | 8 | 4 | 0 | [
0,
0,
0
] | [
"all_oqmd_725389"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/1353/MD_1014711688134186962591353.json | null | {"_oqmd_entry_id": 1068858, "_oqmd_stability": 0.53998121991413, "hash": "10147116881341869625913530438057195539106600290754413624870623049703040035518415061775847026305820639760187199950972126438648929382966381880590057005558395", "id": "MD_1014711688134186962591353"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002231707950823159010508 | 10022317079508231590105087128852197845674948865375044949857562236707726108771465353273360706508369964056853211748635287053262649243601487944869719362571340 | 2025-04-16T16:09:51 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 1.787621 | null | null | null | null | null | CO_7336362211550066069394282 | 7336362211550066069394282570045692674563948388153293750260697355762435052417730288245415966519379753490252935526006620487849854472061492867418702852997499 | 9241765944433538744609231245284905137074997407261942899076187895963421377755948537345617439870735806326977666972105669346808521134433510319030073986602428 | [
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[
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[
0,
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] | [
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0,
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[
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0,
17.200997625
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[
0,
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0
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[
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],
[
-2.006365,
1.1583755,
3.2763805
],
[
0,
-2.316751,
3.2763805
]
] | [
true,
true,
true
] | Ge2Ti4 | GeTi2 | A2B | [
"Ge",
"Ti"
] | [
0.3333333333333333,
0.6666666666666666
] | [
32,
32,
22,
22,
22,
22
] | 6 | 2 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3861/MD_7011602349551965867063861.json | null | {"_oqmd_entry_id": 1240955, "_oqmd_stability": 2.441022578333337, "hash": "7011602349551965867063861031316924508138843455108785938167368720605101037045428348977484935768661688618255673950722071766653742948694493431591507195278246", "id": "MD_7011602349551965867063861"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002272512575746524308337 | 10022725125757465243083374907752154536405442225508259722269963580663714714586954264093601463718793242394166269173258608591383062962494396883294854409387407 | 2025-04-16T19:03:17 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.623819 | null | null | null | null | null | CO_7754726207991033324394428 | 7754726207991033324394428972539378611772321474740603920767385616407425441830616568973060729001020566235693968232910684488095570045671384015616487048080358 | 4418173008022456801635673810037020937972267649405892385986822945640596095885458121848616927738631800114391232257023471178615493569650232729150590923507297 | [
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[
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0,
3.449594
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[
3.449594,
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0
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] | [
[
0,
0,
0
],
[
1.724797,
1.724797,
1.724797
],
[
5.174391,
5.174391,
5.174391
]
] | [
true,
true,
true
] | IrLaLu | IrLaLu | ABC | [
"Ir",
"La",
"Lu"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
77,
57,
71
] | 3 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_782305"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3123/MD_1069601877661957792083123.json | null | {"_oqmd_entry_id": 893053, "_oqmd_stability": 0.0880278164926391, "hash": "10696018776619577920831233083683479037604311247453417537368039196107307566566772404894149251877964245736872895220166506655092210354131684454898370437289183", "id": "MD_1069601877661957792083123"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002208904372954379478155 | 10022089043729543794781551702412574757764429958249567768091801043730066073270897863382119065274632171389459283115950596383092239301890307917762774972553160 | 2025-04-16T19:02:01 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.997309 | null | null | null | null | null | CO_1170859793865997939346005 | 11708597938659979393460051941004689021899512613571618663652148105477078662587052115484613524856772180599292721972645388382605889815093284742902564009260993 | 4984693159025562271906180446046376057140070132206742258201192086293727312665760425759696585007525620539173432012718517056876459581881069707883624384822334 | [
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[
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0,
3.584375472
],
[
3.584375472,
3.584375472,
0
]
] | [
[
0,
0,
0
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[
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1.792187736,
1.792187736
],
[
5.376563208,
5.376563208,
5.376563208
]
] | [
true,
true,
true
] | DyPmTi | DyPmTi | ABC | [
"Dy",
"Pm",
"Ti"
] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
66,
61,
22
] | 3 | 3 | 0 | [
0,
0,
0
] | [
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true,
true,
true
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"Sm"
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0.25,
0.25,
0.25,
0.25
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20,
20,
7,
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8,
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62,
62
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0
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[
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true,
true,
true
] | As2O2Si2Tm2 | AsOSiTm | ABCD | [
"As",
"O",
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] | [
0.25,
0.25,
0.25,
0.25
] | [
33,
33,
8,
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14,
14,
69,
69
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0,
0,
0
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[
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[
4.9222905,
4.9222905,
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] | [
true,
true,
true
] | BiCoCuHf | BiCoCuHf | ABCD | [
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"Hf"
] | [
0.25,
0.25,
0.25,
0.25
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83,
27,
29,
72
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0,
0,
0
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[
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[
1.7768104... | [
true,
true,
true
] | Na4P8 | NaP2 | A2B | [
"Na",
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0.3333333333333333,
0.6666666666666666
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11,
11,
11,
11,
15,
15,
15,
15,
15,
15,
15,
15
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0,
0,
0
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[
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[
4.6812555,
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] | [
true,
true,
true
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"Np",
"Yb"
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0.5,
0.25,
0.25
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5,
5,
93,
70
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0,
0,
0
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0,
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[
0... | [
true,
true,
true
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] | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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32,
32,
77,
77,
25,
25
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0,
0,
0
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[
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[
0,
0,
0
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] | [
true,
true,
true
] | AuFeHgTl | AuFeHgTl | ABCD | [
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"Fe",
"Hg",
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] | [
0.25,
0.25,
0.25,
0.25
] | [
79,
26,
80,
81
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0,
0,
0
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[
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2.67523391399... | [
true,
true,
true
] | AgBr6GeRb2 | AgBr6GeRb2 | A6B2CD | [
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"Br",
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] | [
0.1,
0.6,
0.1,
0.2
] | [
47,
35,
35,
35,
35,
35,
35,
32,
37,
37
] | 10 | 4 | 0 | [
0,
0,
0
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]
] | [
true,
true,
true
] | NdPr2Pt | NdPr2Pt | A2BC | [
"Nd",
"Pr",
"Pt"
] | [
0.25,
0.5,
0.25
] | [
60,
59,
59,
78
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_121505"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/6807/MD_1192037403574549548706807.json | null | {"_oqmd_entry_id": 389412, "_oqmd_stability": 0.383392903125, "hash": "11920374035745495487068074372580527467418928139643055010503059473213675515202680061306036876616159040477552335215700285806444300224701960222418402562912964", "id": "MD_1192037403574549548706807"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002281459917855478192583 | 10022814599178554781925834706570102938966430604270924520592691016444131036112858256922148065273176868018771192082216252972789461328883092242922532417543154 | 2025-04-16T18:28:43 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | 0.64705 | null | null | null | null | null | CO_1167750014028319352537961 | 11677500140283193525379611094871467477985817662179685155971051563801628558510892531178478357098791825983148128290737286220915966436181060810208833471885049 | 6544674923232253682444508925166963917786321611402222941803923316664278140969147233548000612493018885728226069431339283109165551302122513664095020334169209 | [
[
0,
3.211262,
3.211262
],
[
3.211262,
0,
3.211262
],
[
3.211262,
3.211262,
0
]
] | [
[
0,
0,
0
],
[
3.211262,
3.211262,
3.211262
],
[
1.605631,
1.605631,
1.605631
],
[
4.816893,
4.816893,
4.816893
]
] | [
true,
true,
true
] | Ru2TeW | Ru2TeW | A2BC | [
"Ru",
"Te",
"W"
] | [
0.5,
0.25,
0.25
] | [
44,
44,
52,
74
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_179566"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/4897/MD_1217980940364822550994897.json | null | {"_oqmd_entry_id": 502394, "_oqmd_stability": 0.80315994625, "hash": "12179809403648225509948972304815514404421279826170248008370893105231217345657749310492951202737317547644765905950837662171040257173856858900967862735931175", "id": "MD_1217980940364822550994897"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1002288790719660117343933 | 10022887907196601173439333599090946267379834866676216223264582375167124110035039245698002777483573267999857420764375506948788462176077799451241598287952605 | 2025-04-16T21:43:25 | DS_untxw8nljf92_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | -0.221214 | null | null | null | null | null | CO_7258524126651566904550133 | 7258524126651566904550133032053698975372350778773840158645903888089194875069762476717244236361601124172566427516178294266435792636976912049994617642430629 | 6546509746994217766568305445243445420677754191114864401726163052819341820465639176789515468430334620902241439824162284364066643917312305354188178556383075 | [
[
0,
2.804217,
2.804217
],
[
2.804217,
0,
2.804217
],
[
2.804217,
2.804217,
0
]
] | [
[
0,
0,
0
],
[
4.2063255,
4.2063255,
4.2063255
],
[
1.4021085,
1.4021085,
1.4021085
],
[
2.804217,
2.804217,
2.804217
]
] | [
true,
true,
true
] | Cr2FeSi | Cr2FeSi | A2BC | [
"Cr",
"Fe",
"Si"
] | [
0.5,
0.25,
0.25
] | [
24,
24,
26,
14
] | 4 | 3 | 0 | [
0,
0,
0
] | [
"all_oqmd_322141"
] | null | data/MD/5202/MD_1086845055867124744315202.json | data/MD/3476/MD_1199660723423347165693476.json | null | {"_oqmd_entry_id": 733482, "_oqmd_stability": 0.1292207851115676, "hash": "1199660723423347165693476774223327815212253455793530897936919665604925044027601839937851096638075039361419832027908708055222399233794216610005437838200233", "id": "MD_1199660723423347165693476"} | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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