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true,
true
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"N",
"O",
"Ru",
"Te",
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0.02127659574468085,
0.02127659574468085,
0.10638297872340426,
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44,
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7,
8
] | 47 | 5 | 0 | [
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PO_4891224455623663798015517 | 4891224455623663798015517033779669020937552876497713956556721231320686971215247472960179351167828953087135699275775749497402391276763651864015987209287946 | 2025-04-16T21:52:07 | DS_3u17g7ukggi5_0 | 1 | VASP | DFT-rPBE | -4.988412 | [] | [] | null | null | null | null | null | null | null | null | null | CO_6149081309721186171639233 | 6149081309721186171639233791048094608496904942917030246088816753193552864678200848755279916821994583086247441091285320723447098813491273766692396149572843 | 8839079109711988255479907005228882603078305400411840106506876756003661891422353483971449074070167625624734494510965196000266651266864687260191491879596999 | [
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[
... | [
true,
true,
true
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0.48,
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... | 75 | 6 | 0 | [
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PO_4891240822468228712299936 | 4891240822468228712299936352103359413593089759787882169038406114640070139534793817431275749459646273295634213901319711807335529260026808590727773075519950 | 2025-04-16T18:29:13 | DS_3u17g7ukggi5_0 | 1 | VASP | DFT-rPBE | -4.981419 | [] | [] | null | null | null | null | null | null | null | null | null | CO_3259008664996859973742386 | 3259008664996859973742386083335800336025100782761401760923523384049850957736949414965356262957039576442178518588309410463924299367467546509160265531864009 | 1169661766958833710131327107598851071916609026583909711239596081518006509128830784106423074683541350853478293696392813586463624698884780953128513514048057 | [
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[
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[
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21.263835906982422,
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[
... | [
true,
true,
true
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"C",
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"O",
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PO_4891763254570571218128501 | 4891763254570571218128501775415478347360122737104201665011045785993686471066895140438794184652281454468129539673777035567942623355643394667408608457467118 | 2025-04-16T20:21:52 | DS_3u17g7ukggi5_0 | 1 | VASP | DFT-rPBE | -3.297906 | [] | [] | null | null | null | null | null | null | null | null | null | CO_1222075549352424115584391 | 12220755493524241155843918841840820291689772017372719302590698582389877616394608027115340394381237957606797121138987337393746693966554252119168884248926009 | 433795918530630969937528459231905101016195216823496767137874253278178850453771938439139373285623759031068712368222939542864806622459708788863520931787553 | [
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[
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[
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[
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3.55237293... | [
true,
true,
true
] | CH3Ca16Hg16OSn16 | CCa16H3Hg16OSn16 | A16B16C16D3EF | [
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8
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PO_4891226040906719653209973 | 4891226040906719653209973276837722329310636890044968897931758092204589463390122734634463556138174040627135677491713716306562872152110333295986087985284623 | 2025-04-16T20:53:47 | DS_3u17g7ukggi5_0 | 1 | VASP | DFT-rPBE | -2.157432 | [] | [] | null | null | null | null | null | null | null | null | null | CO_1013924665427608418419367 | 10139246654276084184193677289175118611414617159728911282906427941542990834981002072554080965775206430557501728430870630991251400410338867996071136161054677 | 2762695078250832820339478246192136274784127182755736314137415194165131384287523206774283287167513443201899526071077776194595973057461421009969874985597902 | [
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[
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24.011735916... | [
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true,
true
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PO_4891890590581877108766774 | 4891890590581877108766774002813540322775568903399776006103684454351138528883659295522197040641956242110947823637999560377486179295565865689161816586750606 | 2025-04-16T20:48:21 | DS_3u17g7ukggi5_0 | 1 | VASP | DFT-rPBE | -2.150185 | [] | [] | null | null | null | null | null | null | null | null | null | CO_1004504306564535285453880 | 10045043065645352854538803946540262610707281147299584339111661290941599231821619853665629048672162695186855547264508407483729043779948065711008344182895763 | 8876087735297451717840714159821837804027207794882627477836890378174048449837281073001251097458072103731943572739409368981411481050591709800268350482914214 | [
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[
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[
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18... | [
true,
true,
true
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[
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19.01077651977539
... | [
true,
true,
true
] | CH2As36Co18 | As36CCo18H2 | A36B18C2D | [
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[
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[
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18.451541900634766
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true,
true
] | C2H5OPd36Zn18 | C2H5OPd36Zn18 | A36B18C5D2E | [
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PO_4894996233531655926807415 | 4894996233531655926807415029375470558009495450188843521112717733544277660416590932663246463128952083150033212194393127907513955694772898795937712261305501 | 2025-04-16T22:04:30 | DS_3u17g7ukggi5_0 | 1 | VASP | DFT-rPBE | -3.216274 | [] | [] | null | null | null | null | null | null | null | null | null | CO_4647607646022631847069012 | 4647607646022631847069012946899297337717533525418818093824690412041873298891093227597846882901300195129348958941708503551792527867358222592900664683822721 | 185925781101554591915287777214928177485592750377107743799319396474402687971916002145260205862121841543335138265998261036296434578559984852672505359052761 | [
[
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[
3.183861494064331,
9.191017150878906,
2.59961199760437
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[
0,
0,
31.195344924926758
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[
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[
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[
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[
1.5919307470321655,
2.7573049068450928,
19.107149124145508
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[
... | [
true,
true,
true
] | C2Hf30Pb10 | CHf15Pb5 | A15B5C | [
"C",
"Hf",
"Pb"
] | [
0.047619047619047616,
0.7142857142857143,
0.23809523809523808
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72,
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82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
6,
6
] | 42 | 3 | 0 | [
0,
0,
0
] | [
"ocp_all_265618"
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PO_4894866925961852086801971 | 4894866925961852086801971770449154701457859290268863592261617843199208215869330322498896419145362647457703357322773734211004599105773031136027548916992153 | 2025-04-16T21:29:37 | DS_3u17g7ukggi5_0 | 1 | VASP | DFT-rPBE | -2.864049 | [] | [] | null | null | null | null | null | null | null | null | null | CO_5704048776749262874586755 | 5704048776749262874586755658361103366674914713926906850534192525234474403799721620344692506300339032177708500655807063085234723974037297091804407123653288 | 11359795546501167497533656164520317022617982101881146531246703676129950098671486949379624656561354616941119813071657164362765185776992309419559892584971858 | [
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[
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11.788208961486816,
8.258207321166992
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[
0,
0,
42.865177154541016
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[
9.365633964538574,
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[
6.885390758514404,
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[
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25.488122940063477
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[
4.405148029327393,
4.358669757843018,
24.360803604125977
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[
... | [
true,
true,
true
] | C2H2Ag32As32S32 | Ag16As16CHS16 | A16B16C16DE | [
"Ag",
"As",
"C",
"H",
"S"
] | [
0.32,
0.32,
0.02,
0.02,
0.32
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33,
33,
33,
33,
33,
33,
33,
33,
33,
33,
33,
33,
33,
33,
... | 100 | 5 | 0 | [
0,
0,
0
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"ocp100k_79021",
"ocp_all_79021"
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PO_4894853212253342583031482 | 4894853212253342583031482099019027906754202133297943142904591629151929090747513808278804083395161039121395625914620359288411462455972764850501662844396890 | 2025-04-16T22:04:30 | DS_3u17g7ukggi5_0 | 1 | VASP | DFT-rPBE | -5.427619 | [] | [] | null | null | null | null | null | null | null | null | null | CO_1156594965254122886567248 | 11565949652541228865672485038880105882718808810163773277970683142755030579544871499547724137140903773685047671800461792558437404362574614132865664796191137 | 2705738266008630136548247314040448306685785402826565732786934914908685193387301242002696157795668138106626775193461015177845300069878177209324672125260499 | [
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[
0,
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0.24251019954681396
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[
0,
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34.982582092285156
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] | [
[
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[
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[
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13.756097793579102
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[
3.868295669555664,
12.352474212646484,
21.333276748657227
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... | [
true,
true,
true
] | C2H4Al24OY48 | Al24C2H4OY48 | A48B24C4D2E | [
"Al",
"C",
"H",
"O",
"Y"
] | [
0.3037974683544304,
0.02531645569620253,
0.05063291139240506,
0.012658227848101266,
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... | 79 | 5 | 0 | [
0,
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"ocp_all_374258"
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PO_4894013064544351681732356 | 4894013064544351681732356791915781867597214915772301429608035375102530887035063578216309729865378265749932025531968526799973178054914914062760776430116365 | 2025-04-16T18:28:12 | DS_3u17g7ukggi5_0 | 1 | VASP | DFT-rPBE | -4.15065 | [] | [] | null | null | null | null | null | null | null | null | null | CO_5502213263903985376072762 | 5502213263903985376072762389375931574382671255301490513761225134054563961153201277457232897663289855826238755784853309735043368976897285768816792060179007 | 3654445754386663321188071822209022113147867697497916152644198673284365451659098503646793507010578629443060667319432364173036839269999738753034107527340116 | [
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[
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[
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[
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[
2.5221457481384277,
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17.024484634399414
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... | [
true,
true,
true
] | C2H5Ca32Co16N32O | C2Ca32Co16H5N32O | A32B32C16D5E2F | [
"C",
"Ca",
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"H",
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0.056818181818181816,
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27,
27,
27,
27,
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7,
7,
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7,
7,
7,
... | 88 | 6 | 0 | [
0,
0,
0
] | [
"ocp_all_216676"
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PO_4894665755258259848880254 | 4894665755258259848880254197364404669353040922485002947924897652859172631919717643158721911163805664065192376422959483906610715737194332802067874513935713 | 2025-04-16T21:38:17 | DS_3u17g7ukggi5_0 | 1 | VASP | DFT-rPBE | -4.984402 | [] | [] | null | null | null | null | null | null | null | null | null | CO_1050197019763118198792363 | 10501970197631181987923638071325803111459289057749003570113675961900924733399141210042920499406909404170923551355709758086684670420124746943592668070793097 | 10538509705661569819799582485718981835509256342346303662236116812482223377737023592870084829107689015351044578129047667439381462670303402458188711076476654 | [
[
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[
0,
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0
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[
0,
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39.566097259521484
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] | [
[
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[
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[
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[
0,
4.662909507751465,
17.310169219970703
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[
2.3314547538757324,
6.994364261627197,... | [
true,
true,
true
] | C2H4Ir16O2Pd16Sc32 | CH2Ir8OPd8Sc16 | A16B8C8D2EF | [
"C",
"H",
"Ir",
"O",
"Pd",
"Sc"
] | [
0.027777777777777776,
0.05555555555555555,
0.2222222222222222,
0.027777777777777776,
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21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
... | 72 | 6 | 0 | [
0,
0,
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] | [
"ocp_all_326399"
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PO_4894289703125468073414808 | 4894289703125468073414808833713940198421648833568298109616322966309910541519554864816019015017350182314015725099751614872767199598398258030045573884684504 | 2025-04-16T21:13:40 | DS_3u17g7ukggi5_0 | 1 | VASP | DFT-rPBE | 6.927234 | [] | [] | null | null | null | null | null | null | null | null | null | CO_6134704411180746107707830 | 6134704411180746107707830462087157804040005645560585027288148040630144588170757709875324193959119091633812633595386229587158503978471968127727501533125988 | 4574102860873460821374219573280091051837291405489990065345198748174757539619584253042802615004510692949746094701196167997799667564309260073432012816702029 | [
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[
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[
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] | [
[
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[
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[
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[
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2.2804791927337646,
17.0128307342529... | [
true,
true,
true
] | HOS48Ti30 | HOS48Ti30 | A48B30CD | [
"H",
"O",
"S",
"Ti"
] | [
0.0125,
0.0125,
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16,
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16,
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22,
22,
22,
22,
22,
... | 80 | 4 | 0 | [
0,
0,
0
] | [
"ocp_all_121503"
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PO_4894980540473753816802409 | 4894980540473753816802409201813585003688501141784907470902234580825517343666495348533408295919826838626540928816913747726304180932668373552031421844222468 | 2025-04-16T22:04:30 | DS_3u17g7ukggi5_0 | 1 | VASP | DFT-rPBE | 2.470629 | [] | [] | null | null | null | null | null | null | null | null | null | CO_1027763999118888235795524 | 10277639991188882357955240706320305881485355159854854092770107201159726977282286564370032995904894124654637451224005563917946177293598966762905190883168760 | 8913022609709490887337229986780519069380289945775066165344748127382063376974209689695737168218870572745099284289092873667820423787508454916954535257357514 | [
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[
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[
0,
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] | [
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[
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[
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16.281187057495117
],
[
2.7644238471984863,
10.219980239868164,
13.464933395385742
],... | [
true,
true,
true
] | H2Co36Hf36N2OP36 | Co36H2Hf36N2OP36 | A36B36C36D2E2F | [
"Co",
"H",
"Hf",
"N",
"O",
"P"
] | [
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0.3185840707964602,
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... | 113 | 6 | 0 | [
0,
0,
0
] | [
"ocp10k_2168",
"ocp100k_2168",
"ocp_all_2168"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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