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 string | nsites int32 | nelements int32 | nperiodic_dimensions int32 | dimension_types string | names list | labels list | property_metadata_path string | configuration_metadata_path string | hash string |
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PO_1000031180030249303230355 | 10000311800302493032303552479119636433821339441065218038775267038327592694353688469897596704532172585157509176376220719609391053249938682533726389624298396 | 2025-04-16T16:48:31 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -452.868658 | [
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PO_1000058804277198213948847 | 1000058804277198213948847316758841422038346612843710460596938680592357342758800633440288705927443650903870049017943802963289230278821233836460102159029280 | 2025-04-16T16:47:26 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -384.27899 | [
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PO_1000011020115788814024421 | 10000110201157888140244214790168236509928085528020566213365905049634844334175462852066457621213358480149063070492601152358847539308314992236318759791585834 | 2025-04-16T16:46:17 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -190.24888 | [
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PO_1000029450002638176687702 | 1000029450002638176687702136908563995347476657900500121652282698833475105691320263603722905532541075561831680299755758346185670520369639469583051249250521 | 2025-04-16T16:45:28 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -121.439261 | [
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PO_1000014382847443084282621 | 10000143828474430842826211713262573657321043890362144540865286868351782071827210330571403130628752143944489767755313317112140152325305757282577121970166923 | 2025-04-16T17:35:02 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -484.241422 | [
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[
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true,
true
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[
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[
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[
0,
6.84691051,
17.11... | [
true,
true,
true
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PO_1000029147570250976459911 | 10000291475702509764599114918625148399713033327997080871215600249176296344579844746173012016696106028157958421410915766331383720013937445819649444826523454 | 2025-04-16T17:35:02 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -333.218287 | [
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[
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0,
6.25447001,
16.54... | [
true,
true,
true
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PO_1000090774542506814019380 | 10000907745425068140193800198478390920750156048635338395595923401930957252965330561297082598040412285856437939419187509230649106504535134533470868603148252 | 2025-04-16T18:42:12 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -569.055003 | [
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[
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[
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true,
true
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] | data/MD/2133/MD_6786261809779863126592133.json | data/MD/9403/MD_5691900621611676557669403.json | null |
PO_1000012518847136620626509 | 10000125188471366206265092188670544366620606371106905696441376914528573087887719196390736647095292136549091225714176716021446028657692288394404737727619213 | 2025-04-16T18:47:00 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -269.184121 | [
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[
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[
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4.615914... | [
true,
true,
true
] | C2H3K24OSe36Sn12 | C2H3K24OSe36Sn12 | A36B24C12D3E2F | [
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PO_1000069291894639603594369 | 10000692918946396035943694595281498206087974365321574779766986233653548023121594330253311945350743393902717321629959695301735764149631335092593653248950193 | 2025-04-16T20:58:52 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -197.158914 | [
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[
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true,
true,
true
] | C2H2Ge6O2Pb18Te24 | CGe3HOPb9Te12 | A12B9C3DEF | [
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PO_1000071690332690692316032 | 10000716903326906923160326575030011725230759046882992011871362730665542260759101290252422254016499037694136206553196942298757078016751188598558221714919979 | 2025-04-16T18:46:02 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -276.804911 | [
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[
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1... | [
true,
true,
true
] | Mo18N2OPd18 | Mo18N2OPd18 | A18B18C2D | [
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true
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PO_1000031788552484071002372 | 10000317885524840710023727074660541270065390826786533449604059513734410034539294302839362619109167462836264351358018292944603853803998181135287515748629737 | 2025-04-16T20:58:52 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -632.544011 | [
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PO_1000028956129940008237447 | 10000289561299400082374475370047497443790038266294924729305094642111451775799548081452037397168138067812919656363307358965579247056677471339654711721675644 | 2025-04-16T20:40:01 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -1,012.601681 | [
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true
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PO_1000039949452354278821468 | 10000399494523542788214684991406986988627640607814440011516231329318327634606875459483016798877116039729182195472378255433758734063645603696569533263866389 | 2025-04-16T20:39:54 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -297.129662 | [
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PO_1000033522300550358702570 | 100003352230055035870257005441641156124365067297182221707655652851334763186967106189835508276497130696431685768267958199755270025646637845786906232950706 | 2025-04-16T18:46:38 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -60.858723 | [
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[
3.07687854,
1.32060388,... | [
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true,
true
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PO_1000079710907651392418021 | 10000797109076513924180218331052787733620699610464431629798273680421828852894287130245652873206431611748049408908618615062688665644188385117498967352025373 | 2025-04-16T21:43:16 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -508.513303 | [
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true,
true
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true,
true
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true,
true
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PO_1000085222363445229699518 | 10000852223634452296995180457237701890485100447617424905554406898965605975658065261887185633775098280087147182170389625863223361630402817401351176763397776 | 2025-04-16T21:43:16 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -157.973078 | [
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[
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true,
true,
true
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PO_1000043935742436856469270 | 10000439357424368564692705960732766309108986854952738242507200277883828221870986603881909743840676038955342805411560921324223008932216720218557863131141734 | 2025-04-16T21:57:13 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -267.740451 | [
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true
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PO_1000078436788891764512505 | 10000784367888917645125054372287182497046801704833336794052177465564640942282758451968217789211403398805995362965831636942578989353213119385680108623344140 | 2025-04-16T21:13:40 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -380.423422 | [
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true,
true,
true
] | C2H2ORh24Ti24 | C2H2ORh24Ti24 | A24B24C2D2E | [
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"Rh",
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PO_1000005603103544006860538 | 10000056031035440068605385985987038535166223008603871585713734618263298050093551842557896676554707622791383463563451490552569937396902738852277616823361657 | 2025-04-16T16:09:44 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -276.286914 | [
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PO_1000084628616708476412844 | 10000846286167084764128445034895842385584924141395488499836123809205967029928939561293801440034440701267261338591082030811811216539172630436180479639097548 | 2025-04-16T15:44:44 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -219.852029 | [
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true
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[
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5.23035784... | [
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true
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PO_1000068903703220738812643 | 1000068903703220738812643170459809148633615440757465873582034534761849541231852420883063252507789210456715781494673490857404679632815416594178185561835599 | 2025-04-16T20:41:25 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -387.623355 | [
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PO_1000086087791858166174566 | 10000860877918581661745665063297836152876732858511726764240337835553525845752218912025362070586291012822907251827943423132392324517203891186015610582151882 | 2025-04-16T17:04:26 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -150.861709 | [
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PO_1000060440756082432439268 | 10000604407560824324392687627989239983257110870730970265000589257099814673431645756653932225500434549084726669506417028285811637446766901694764080314369459 | 2025-04-16T21:09:01 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -164.499557 | [
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PO_1000067910809533975559295 | 1000067910809533975559295416608103000589897408677142516269227579409670662669222799358677681568662436467326187060767761038730204331587761933174988527343665 | 2025-04-16T21:43:25 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -652.272257 | [
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PO_1000019009237995766961263 | 10000190092379957669612632375404165214826237376293731995285773508017462084743386460837683888490955443790246585925007970637967983680274064826450056708893024 | 2025-04-16T20:48:21 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -422.176226 | [
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PO_1000097457666499653376651 | 100009745766649965337665115540585863154743864225501703984488020695975881699279349088589181961341906256427573092402625139578685818145543808723415155538506 | 2025-04-16T16:55:35 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -435.600132 | [
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PO_1000038910727485739193563 | 10000389107274857391935632287645405024711636419612135102292593104825799701892044208518438954965941689396513213171985773352325721828868551836274953347179653 | 2025-04-16T21:43:16 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -540.458616 | [
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PO_1000065564187695907489404 | 10000655641876959074894045095126977226080131764579007633301292029457528519433094728108972888354374624918029996121115034477646818479843805280671531288295 | 2025-04-16T21:43:25 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -21.414983 | [
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[
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PO_1000076275609130048156113 | 10000762756091300481561135641904640449707175865872924201872639483606129448473495985984321094783018873502124709868280737156393785441513681808861743416708892 | 2025-04-16T21:43:25 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -134.635848 | [
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true,
true
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PO_1000028478464350148124707 | 10000284784643501481247071720982561999301198792229613353989925941922895613826367057758033715737718097685665901560736748356300200390259293790915070135550417 | 2025-04-16T16:05:52 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -144.621297 | [
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[
6.33767036,
8.9154695... | [
true,
true,
true
] | C2H4Cu8In8O2Se16 | CCu4H2In4OSe8 | A8B4C4D2EF | [
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PO_1000050043083750504206448 | 10000500430837505042064485617052974609968249527850334831690724891456474899701349732466345803183701828871731560592107366307483313990556215235091199864661803 | 2025-04-16T16:52:33 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -570.023 | [
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true,
true
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4.40... | [
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true
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true,
true
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[
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true
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[
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true,
true,
true
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PO_1000099713600951196999260 | 10000997136009511969992606808851563860593501437491226032129391198564549748619692105639951037052829285535337385437152577522219180802810540411743035807976696 | 2025-04-16T16:54:28 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -114.387144 | [
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[
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-0.1... | null | null | null | null | null | 5.387477 | null | 12.291112 | 1.253952 | null | CO_1243708384586795794460318 | 12437083845867957944603185284734732187270410768670949464361260778342337494361315596667838002765039949637171441927677990431795392257316510503094721756031465 | 9947024137239611115146941969951322008022090238452469440613748708696847696544210500447496549379624360989615786454146484623914074677736722076913001018700989 | [
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30.04377234
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[
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4.11334944... | [
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true,
true
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PO_1000020624438326740162166 | 10000206244383267401621665271104143901470436691813921998880794676403273463073437037563572206287621361450044000614254411608972212192337811351702012213823477 | 2025-04-16T18:08:56 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -415.973378 | [
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[
0.00266213,
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... | null | null | null | null | null | -1.421964 | null | 0.608898 | 0.195926 | null | CO_6795730817039316275279491 | 6795730817039316275279491783894597436748300721043743548734887233663287812546155233540862402146603937690956568731217170356284110263452331445547332506624383 | 4031226627019586511880254990572366903278083947818235698534134723511910016047688683811990619356442407365981084448864388640848692496415742880860838198740136 | [
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[
0,
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[
2.9... | [
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true,
true
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PO_1000017368622015474827981 | 1000017368622015474827981126063989167257118944602941708696963069859297618879319017275912547583373112110715390189113058182598829607366379702672713436194057 | 2025-04-16T16:06:34 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -150.78502 | [
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[
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[
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[
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[
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0.8725... | [
true,
true,
true
] | C2H5Cs32OTe16 | C2Cs32H5OTe16 | A32B16C5D2E | [
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] | data/MD/7915/MD_9680300460727558915147915.json | data/MD/7023/MD_3869684862767434374987023.json | null |
PO_1000043135304543137971267 | 10000431353045431379712671447786318424812971142869841681130487219394211749586323367083726701164247306089720206958070872472314196121037265487883524605165283 | 2025-04-16T18:07:46 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -533.469165 | [
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[
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[
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0.10104... | null | null | null | null | null | 0.177574 | null | 3.272756 | 0.612581 | null | CO_4094176920737148799520652 | 4094176920737148799520652342330222480135504585760915934285173561878807235973608391339415419241855646581350064593952197349811877313049603918693734919240113 | 7444591880022845974903758414684049674476473443168603980621513894505582988115876846864534675161294842872781416473863465582010521181184375833203609454402127 | [
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[
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[
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8.29452053,
16.24310027
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[
3.4831452,
2.63141137,... | [
true,
true,
true
] | CNNb24Se48Ti12 | CNNb24Se48Ti12 | A48B24C12DE | [
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] | [
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0.27906976744186046,
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] | data/MD/9875/MD_1163446566944764864889875.json | data/MD/6726/MD_9763406616278375836436726.json | null |
PO_1000092647521667164512219 | 1000092647521667164512219428161310280800506711860703965507031774046390705542861686989157327941180781755935444554601507194400103347187515281278986196831045 | 2025-04-16T18:11:35 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -543.167227 | [
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[
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[
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0.58... | null | null | null | null | null | -0.907288 | null | 3.850579 | 0.445217 | null | CO_1052916728257492653082048 | 10529167282574926530820486488056067477953801287880658728188196192950321859019193344481003290655131906832425956164736982770352293486323079802608659650403547 | 12295188891882171813448082438132466155296930990162669955099943131910020295442435457060933034326945090784419019920067678195016018624173691752353201342202629 | [
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[
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[
1.78862957,
3.5563947... | [
true,
true,
true
] | CH3Ge48OOs32 | CGe48H3OOs32 | A48B32C3DE | [
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] | data/MD/3081/MD_1020574178187349895853081.json | data/MD/8984/MD_2797856238778723671058984.json | null |
PO_1000085039899006166247531 | 10000850398990061662475319822179505445434945944472560281623358361475248640647613375119950917504411413191365151345378099942828155560144635956851294093441833 | 2025-04-16T18:04:13 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -407.00234 | [
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[
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[
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-... | null | null | null | null | null | -2.016173 | null | 2.30665 | 0.23491 | null | CO_9988483676260768808776520 | 998848367626076880877652007610821608265397510790568382663814196341509520135272971089868532943105832464627912438588245411702249908180732955171058509011716 | 3777429677694395336445767986071414169693017437597731625915770236522658842305900057854283318933855237786278860317746413980770117780101668722353579222414976 | [
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[
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22.61905884
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[
1.47180681,
... | [
true,
true,
true
] | C2H51Pd48 | C2H51Pd48 | A51B48C2 | [
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] | [
0.019801980198019802,
0.504950495049505,
0.4752475247524752
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PO_1000083991693120561176038 | 10000839916931205611760385991287690096121144204092015507683591763888352135157870411513955242428395233175544570570311888989276290832712826334964042013248685 | 2025-04-16T18:08:56 | DS_otx1qc9f3pm4_0 | 1 | VASP | DFT-rPBE | -414.096698 | [
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true,
true
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true
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[
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true
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[
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[
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5.55411... | [
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true,
true
] | HBi32N2Pd32 | Bi32HN2Pd32 | A32B32C2D | [
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[
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[
13.01377212,
8.390867... | [
true,
true,
true
] | C2H4O2Pb24Se24 | CH2OPb12Se12 | A12B12C2DE | [
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[
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[
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[
1.33000329,
6.0378394... | [
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true,
true
] | CH3Cr48Mn48OP32 | CCr48H3Mn48OP32 | A48B48C32D3EF | [
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0.022556390977443608,
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] | data/MD/8420/MD_2033442867030119638268420.json | data/MD/6371/MD_6705858559432130421046371.json | null |
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[
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] | data/MD/7832/MD_6328287466683322315947832.json | data/MD/4544/MD_9653753314659854114174544.json | null |
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