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true,
true
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15.8110046386718... | [
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true,
true
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[... | [
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true
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true,
true
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... | 64 | 5 | 0 | [
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[... | [
true,
true,
true
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73,
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43,
43,
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43,
43,
... | 103 | 5 | 0 | [
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[
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8.1004... | [
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true,
true
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82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
6,
6,
8
] | 51 | 5 | 0 | [
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0
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[
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[
... | [
true,
true,
true
] | CH3K16O | CH3K16O | A16B3CD | [
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0.14285714285714285,
0.7619047619047619,
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1,
1,
1,
8
] | 21 | 4 | 0 | [
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0
] | [
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[
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[
7.249264717102051,
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... | [
true,
true,
true
] | CH4Pt12Sn12Sr12 | CH4Pt12Sn12Sr12 | A12B12C12D4E | [
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12.8172149658203... | [
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true
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true
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PO_1006563171103835586523432 | 10065631711038355865234321847499637383158578568772886420557015161741201794046757720610035706312707640926862803717130961645414464558209745159641829127342749 | 2025-04-16T21:37:17 | DS_6dcul0b17524_0 | 1 | VASP | DFT-rPBE | -0.915528 | [] | [] | null | null | null | null | null | null | null | null | null | CO_7343948855636232607141413 | 7343948855636232607141413836575311413866630635076208056807213796497887152280756100059540401639836178259767261971348591762793186701345284946505384706349270 | 6902163924130615963450440215935212380988561230777552284366936214387983932890571223780724761769743869255759842131801841402624235940633713373174945165035759 | [
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true,
true
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true,
true
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true
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[
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true,
true,
true
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true,
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[
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[
5.833672046661377,
1.5472... | [
true,
true,
true
] | CH3OSb10Sc20 | CH3OSb10Sc20 | A20B10C3DE | [
"C",
"H",
"O",
"Sb",
"Sc"
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0.02857142857142857,
0.08571428571428572,
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6,
1,
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8
] | 35 | 5 | 0 | [
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0
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[... | [
true,
true,
true
] | H35N17Rb16 | H35N17Rb16 | A35B17C16 | [
"H",
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0.5147058823529411,
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... | 68 | 3 | 0 | [
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... | [
true,
true,
true
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... | 103 | 5 | 0 | [
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0
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[
... | [
true,
true,
true
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45,
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45,
... | 72 | 6 | 0 | [
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PO_4941214994208890366335858 | 4941214994208890366335858197595993043122838968603826429302833248009248882668287585756780308779620422292985684560658262242469999532947753147981736744226458 | 2025-04-16T18:57:04 | DS_6dcul0b17524_0 | 1 | VASP | DFT-rPBE | 0.747346 | [] | [] | null | null | null | null | null | null | null | null | null | CO_5511666597137862344640130 | 5511666597137862344640130015498176846950690051114961450591370758668452171315535179769797462908293155819667169430943373733252882880473045881586317989159372 | 5430315794187242319333362094828330256041639774377978937568231665069514238578460165347983768044207715177170908925943410555401481776231327355804714439313433 | [
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[
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[
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[
... | [
true,
true,
true
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"N",
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"V"
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0.27586206896551724,
0.011494252873563218,
0.011494252873563218,
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0.5517241379310345,
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16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
... | 87 | 6 | 0 | [
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0
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[
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[
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3.8429603576660156,
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[
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6.4... | [
true,
true,
true
] | H2OV12W36 | H2OV12W36 | A36B12C2D | [
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74,
74,
74,
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74,
74,
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1,
1,
8
] | 51 | 4 | 0 | [
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0
] | [
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[
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... | [
true,
true,
true
] | Cs8NO3 | Cs8NO3 | A8B3C | [
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0.08333333333333333,
0.25
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55,
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55,
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7,
8,
8,
8
] | 12 | 3 | 0 | [
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[
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0
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[
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[
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19.833873748779297
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[
... | [
true,
true,
true
] | C2H4Cd48Na16O2 | CCd24H2Na8O | A24B8C2DE | [
"C",
"Cd",
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PO_4948670818828361375598723 | 4948670818828361375598723895709175417309292951037221447662593356499995570128203414428122646802015454807840364975089777797782550469297820878341852340966571 | 2025-04-16T21:30:02 | DS_6dcul0b17524_0 | 1 | VASP | DFT-rPBE | -0.818116 | [] | [] | null | null | null | null | null | null | null | null | null | CO_3353386366145934580462307 | 3353386366145934580462307002766817200282185816955748499044842971414064565566792971292892660829911822391965648561230525598551513705114022742137426211946978 | 12060855207061122209259966037422581353262360931794343317807817791202810049020202057049927223450151726900755697725401739585496195988377770351196306885374926 | [
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[
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1.5371158123016357,
23.708908081054688
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true,
true,
true
] | CH2Ir48OV48 | CH2Ir48OV48 | A48B48C2DE | [
"C",
"H",
"Ir",
"O",
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0.01,
0.02,
0.48,
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0.48
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23,
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23,
23,
23,
23,
23,
77,
77,
77,
77,
77,
... | 100 | 5 | 0 | [
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0,
0
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"ocp100k_105363",
"ocp100k_130306",
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PO_4948807945218761182849998 | 494880794521876118284999880078627265886493137386491028792042182136400089043760134584140559384374578932544031738735848843288422574493280874932538638793461 | 2025-04-16T20:58:52 | DS_6dcul0b17524_0 | 1 | VASP | DFT-rPBE | 2.351649 | [] | [] | null | null | null | null | null | null | null | null | null | CO_1132644157550657843773219 | 11326441575506578437732196706655357201598107094118996498930090633266050983751888739368627510773045047853814228631073344773917513385513881589366888299819871 | 12082894520816816463876278125665453964917916755700112701631124736794132678228795972308056398230495408325493364697414450511641732560505003357777359762711376 | [
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[
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42.292144775390625
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[
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16.96598243713379
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[
... | [
true,
true,
true
] | H2Ca32N34OV8 | Ca32H2N34OV8 | A34B32C8D2E | [
"Ca",
"H",
"N",
"O",
"V"
] | [
0.4155844155844156,
0.025974025974025976,
0.44155844155844154,
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7,
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7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7... | 77 | 5 | 0 | [
0,
0,
0
] | [
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"ocp100k_146209",
"ocp100k_121266",
"ocp_all_481594",
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PO_4948053143682285338252220 | 4948053143682285338252220519106852276706238359383893858440589988790043694509349081777666990328792596459825252132777092812848770667918983927653168970403466 | 2025-04-16T18:24:30 | DS_6dcul0b17524_0 | 1 | VASP | DFT-rPBE | 2.290312 | [] | [] | null | null | null | null | null | null | null | null | null | CO_1538112572722177773802699 | 1538112572722177773802699384170002880945247664887485889970946195773132265626422889461656217419075858617401086879466808340266202308559436115878122861345658 | 7829019911916011629720711239085444122828278451924617730550552438372003886723710506616309747500744498071691368279986288201288645742958129465572044439750732 | [
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[
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[
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[
1.932425856590271,
2.3093669414520264,
17.930883407592773
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... | [
true,
true,
true
] | Cs16NNa16Te16 | Cs16NNa16Te16 | A16B16C16D | [
"Cs",
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"Na",
"Te"
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0.32653061224489793,
0.02040816326530612,
0.32653061224489793,
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55,
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52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
7
] | 49 | 4 | 0 | [
0,
0,
0
] | [
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"ocp100k_112626",
"ocp100k_137569",
"ocp_all_497897",
"ocp_all_472954"
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PO_4948524769469262751312596 | 4948524769469262751312596532441618080808295789284466916506506425455830938695985875679313768545274272398984858507581246395966003593556659745683742457452129 | 2025-04-16T15:18:43 | DS_6dcul0b17524_0 | 1 | VASP | DFT-rPBE | -4.862281 | [] | [] | null | null | null | null | null | null | null | null | null | CO_1188432753910040004697949 | 11884327539100400046979498611175113110805220275378226890768619506493831400323007997979310776296507618527389284343778885764688209701257621961296067682061531 | 4407290616444569335443339609465694297640357019771839346441190622355426800320533428675501855493689866449468708051271440598669493409305664809986599865224448 | [
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[
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[
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[
0,
3.9163424968719482,
21.885534286499023
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[
... | [
true,
true,
true
] | C2H4Al32Co32Hf32O2 | Al16CCo16H2Hf16O | A16B16C16D2EF | [
"Al",
"C",
"Co",
"H",
"Hf",
"O"
] | [
0.3076923076923077,
0.019230769230769232,
0.3076923076923077,
0.038461538461538464,
0.3076923076923077,
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13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
... | 104 | 6 | 0 | [
0,
0,
0
] | [
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"ocp100k_144467",
"ocp100k_119524",
"ocp_all_479852",
"ocp_all_504795"
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PO_4948451583858124407861741 | 4948451583858124407861741950814744592484642952957603812923934250522653929833146781966908356517776939520360261039483708787000568080919132799640845495796133 | 2025-04-16T20:26:39 | DS_6dcul0b17524_0 | 1 | VASP | DFT-rPBE | -0.405091 | [] | [] | null | null | null | null | null | null | null | null | null | CO_4791000680069237619243516 | 4791000680069237619243516390408382280454008461704857521008964101898761473849199934342464294397192186411663643569275919004552471462379646360400102731082899 | 6618934470406666179672869447623818305699704279097937033486088928370075991938435116852425260124963064936655284792951228770314914801152788763035496990125392 | [
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[
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[
1.607525110244751,
5.407913684844971,
15.167424201965332
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[
... | [
true,
true,
true
] | Cr36ORh36 | Cr36ORh36 | A36B36C | [
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"O",
"Rh"
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0.4931506849315068,
0.0136986301369863,
0.4931506849315068
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45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
... | 73 | 3 | 0 | [
0,
0,
0
] | [
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[
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[
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[
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[
2.1615445613861084,
3.7439048290252686,
14.560372352600098
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[
-4.32308... | [
true,
true,
true
] | HIr12Mn12Ti24 | HIr12Mn12Ti24 | A24B12C12D | [
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"Mn",
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] | [
0.02040816326530612,
0.24489795918367346,
0.24489795918367346,
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22,
22,
22,
22,
22,
22,
22,
22,
1
] | 49 | 4 | 0 | [
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0
] | [
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"ocp100k_124474",
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[
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[
3.9771242141723633,
2.2522246837615967,
17.1634464263916
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[... | [
true,
true,
true
] | C2H4Ga32O2Y32 | CGa16H2OY16 | A16B16C2DE | [
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"H",
"O",
"Y"
] | [
0.027777777777777776,
0.4444444444444444,
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31,
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31,
31,
... | 72 | 5 | 0 | [
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0,
0
] | [
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... | [
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[
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14.67861461639404... | [
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... | [
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true,
true
] | C2H4O2Pt18S48Ta12 | CH2OPt9S24Ta6 | A24B9C6D2EF | [
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true,
true
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5.987724... | [
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true,
true
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true,
true
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[
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true,
true
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PO_4967857771704266387077607 | 4967857771704266387077607557650326129948379663929693460627540428392650750929746145817282463318568246576197584525390791854113189034848152892071076578716530 | 2025-04-16T21:43:25 | DS_6dcul0b17524_0 | 1 | VASP | DFT-rPBE | -4.001672 | [] | [] | null | null | null | null | null | null | null | null | null | CO_2072658192037646907137714 | 2072658192037646907137714142721561560659980769710596064167648525257912018644691205698662484437347236959555442456845136311311665700967669914449873454731274 | 11062141358771959458235341316619343847975781109279644307101287399048693202942071210690800560501338095231614615929270009487497899954082577407463052936723778 | [
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[
2.8101751804351807,
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... | [
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true,
true
] | C2H5OOs48Ta16 | C2H5OOs48Ta16 | A48B16C5D2E | [
"C",
"H",
"O",
"Os",
"Ta"
] | [
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... | 72 | 5 | 0 | [
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"ocp100k_140744",
"ocp100k_115801",
"ocp_all_501072",
"ocp_all_476129"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_4967104763959021504744183 | 4967104763959021504744183154967478227608198158685522348217143673694175932023703551682415512945029810042563517895816167045123150713044209898027651325774952 | 2025-04-16T19:49:43 | DS_6dcul0b17524_0 | 1 | VASP | DFT-rPBE | -0.026712 | [] | [] | null | null | null | null | null | null | null | null | null | CO_2012595309248215052066917 | 2012595309248215052066917661522286380743580980981119914782516041613864869159277456404787219201500039383572904336625003123867155995350387954328156747525537 | 9277385414045783881400528945211971468371435896201063963804042888848135875705871520927662568750880297473057592532206612623241316053202073734950550276999484 | [
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[
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1.2646210193634033
],
[
0,
0,
29.105594635009766
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] | [
[
1.3394538164138794,
4.03456449508667,
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[
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[
1.670762538909912,
2.7103776931762695,
17.540332794189453
],
[
-0.31708967685699463,
10.655499458312988,
12.477985382080078
]... | [
true,
true,
true
] | C2H4Nb18OS36 | C2H4Nb18OS36 | A36B18C4D2E | [
"C",
"H",
"Nb",
"O",
"S"
] | [
0.03278688524590164,
0.06557377049180328,
0.29508196721311475,
0.01639344262295082,
0.5901639344262295
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16,
16,
16,
16,
16,
... | 61 | 5 | 0 | [
0,
0,
0
] | [
"ocp10k_29611",
"ocp10k_54554",
"ocp100k_144554",
"ocp100k_119611",
"ocp_all_479939",
"ocp_all_504882"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_4967841637785894282546818 | 4967841637785894282546818434984530895287342033521611690107340809252870102374052393365592395610973407744627216416634744510557796525450161431678864622079298 | 2025-04-16T19:56:48 | DS_6dcul0b17524_0 | 1 | VASP | DFT-rPBE | -0.236062 | [] | [] | null | null | null | null | null | null | null | null | null | CO_1119630789328253275454421 | 11196307893282532754544214773934300507953058362571150739359632623762109814250945173434833528013184767658999928964394593244734277234058053591890559936558081 | 424791250707455603047587935885890214481257105236097917165441969698215491046556087807699439296989931445841059170751643792675281151835066066292505063906437 | [
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[
0,
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0
],
[
0,
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[
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14.957018852233887
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3.320236921310425,
10.766297340393066,
19.322124481201172
],
[
0,
3.2057108879089355,
... | [
true,
true,
true
] | HGa24Y40 | Ga24HY40 | A40B24C | [
"Ga",
"H",
"Y"
] | [
0.36923076923076925,
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31,
31,
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31,
31,
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31,
31,
31,
31,
31,
31,
... | 65 | 3 | 0 | [
0,
0,
0
] | [
"ocp10k_16665",
"ocp10k_41608",
"ocp100k_131608",
"ocp100k_106665",
"ocp_all_491936",
"ocp_all_466993"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_4961112825003210481411669 | 496111282500321048141166985664858416363211697185992605401471108885118934850338727657287401880167192985392546899651358912612811873322066927328791153562689 | 2025-04-16T18:29:07 | DS_6dcul0b17524_0 | 1 | VASP | DFT-rPBE | 1.024923 | [] | [] | null | null | null | null | null | null | null | null | null | CO_1176735847694006980860453 | 11767358476940069808604533896431708129729369889953834419245296845279301196108468829898632911606405877403739420449983397398463914779887898155257187868819157 | 8157256045538486271586410197660400546811733277260291782831190615405004872424656452689201935840570264742329075340581970348960506581905144969340744472318628 | [
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[
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] | [
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[
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[
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10.777644157409668
],
[
6.424733638763428,
7.720715045928955,
18.063993453979492
],
[... | [
true,
true,
true
] | CIr18Zn54 | CIr18Zn54 | A54B18C | [
"C",
"Ir",
"Zn"
] | [
0.0136986301369863,
0.2465753424657534,
0.7397260273972602
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77,
77,
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30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
... | 73 | 3 | 0 | [
0,
0,
0
] | [
"ocp10k_30287",
"ocp10k_55230",
"ocp100k_145230",
"ocp100k_120287",
"ocp_all_480615",
"ocp_all_505558"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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