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PO_4969110537305252891152916 | 4969110537305252891152916217135478968306903517260250881362608743208372139588196438090983730998491712614331856593218328098153455449795803740435071763137014 | 2025-04-16T20:53:47 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.142708 | unknown | null | null | null | null | null | null | CO_1076576827469862119993283 | 10765768274698621199932834959339471174002285844969422469739045134810617680399346575795705123653832723939034632441983874769293865954991121422574299176034183 | 1659633376169113602063323731556813304742560562847782369441702449253287728891003772084262409740542268963514615218549520347216135543929760578300751769784269 | [
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6... | 84 | 4 | 0 | [
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PO_4950584055947464099972305 | 4950584055947464099972305111556121094249989342774785307285734532173036706316302547884686704175397195376651748484502147142463729895895573112554490290317744 | 2025-04-17T17:35:57 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.580201 | unknown | null | null | null | null | null | null | CO_5851984897760879117541603 | 5851984897760879117541603565980729633947376462146683941601631787263747664145242567025090663504967332003133863386260191575273425465784579925354611509015009 | 3298422302200183099231035621046243479197814282504317411952851714445158391229090263125960353176492350053512010610913680438474968732408053067259571472788810 | [
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[
7.04485839,
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true,
true,
true
] | C28H20Br4Fe4Ga4I4O8 | BrC7FeGaH5IO2 | A7B5C2DEFG | [
"Br",
"C",
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"H",
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0.05555555555555555,
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PO_4960521062544093029398913 | 4960521062544093029398913030278330461937027584777474429642366157737200370877227804797623048636573079152445416085234691591289537244477011746240587389530326 | 2025-04-16T18:41:17 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.321804 | unknown | null | null | null | null | null | null | CO_8599532029216263912660375 | 8599532029216263912660375029915055692137713162952132479435900537331863898521274667789281469160624581355776991286426206407774183641603678550516589193516255 | 4296640284745025126747977788341216626437440405515383405278392611122283935456838066765762979346777207502199717643708085487344231407081358282381866459472373 | [
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[
3.35728224,
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true,
true,
true
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"C",
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PO_4964306382087622563795633 | 4964306382087622563795633542510503502249956267226712734454529266580765019431664242951881654003396712035298427072526828378647592125093427825609891408672126 | 2025-04-16T16:32:13 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.327537 | unknown | null | null | null | null | null | null | CO_8263386560950196554368486 | 8263386560950196554368486432291961892440938319261346355959702337138706155415083138880455808795314920043649640476587439952821482824778747760766097762786387 | 1179061839693158550683723408697732494099387736208928045730122161735304592860764203758722046240975748357888148483235024144948666448280396271581522457369048 | [
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[
3.42334128,
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true,
true,
true
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PO_4964966683616291358008941 | 4964966683616291358008941056158546296379657030874670172636162069659497310303802956319385824449592450358605001943589821808323924459418410461510868227050117 | 2025-04-16T20:03:53 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.154731 | unknown | null | null | null | null | null | null | CO_1464729572435743870025779 | 1464729572435743870025779582667106527522893654980622618652161623331403340447831090667815495740443715518242102171135686054689875061572217316548095009363390 | 8884246904602018432181525138343886440176201959087840483358854842134218540783116264752891056220486638846975408798018907405713085301624571163159547714995629 | [
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[
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true,
true
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PO_4932484319928145307807024 | 4932484319928145307807024414462449279696707329234193819531756778743388561614163247888577511656393530729280198440141443984823949569917325088815897598697949 | 2025-04-16T16:03:20 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 4.743059 | unknown | null | null | null | null | null | null | CO_6951519648097899574756768 | 6951519648097899574756768021695796803732202610718798129109150461132587004353797847874856730081272136781970323977478291303716218534337816193090954259669086 | 8140792434435229429605738031669572212436133444181602514990277584164991572246484190692620665729342159729842445288233257437173422491303470519366946385913007 | [
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[
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... | [
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true,
true
] | C13H23N3O3 | C13H23N3O3 | A23B13C3D3 | [
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PO_4932398657479788651946244 | 4932398657479788651946244602854123230428298718463446386276342506837873067058770761988391314785904641078780190197483097638057391739719136199985939161972655 | 2025-04-16T18:55:10 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.666086 | unknown | null | null | null | null | null | null | CO_1106167172127651435461580 | 11061671721276514354615804610966390735008801018274949942418513870010775626952013539781946954314540907408637178105277233722691455765932786188789482982503408 | 6368527215994390929847209963480082185914090124949666887882060763162541076223395726485526587696888280494690915824897439982156508107255016869131247814329450 | [
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[
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true,
true
] | C20H32N4O14 | C10H16N2O7 | A16B10C7D2 | [
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PO_4932235025757144162746869 | 4932235025757144162746869084752893622907134515752133576712572893819744827439695955578826202543431782773776287638204367011820567356821239682883835785529210 | 2025-04-16T18:41:35 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.837848 | unknown | null | null | null | null | null | null | CO_1989857209624582633582285 | 1989857209624582633582285433992623423156604795850826227852703980785347882167003892091180740697794367942930077093088617124256807089904575262086529022551477 | 9049462118101705244569281467062602344670400720743448906120937442296941240753868837930069550957308254662272933479832448580264938778601481957301463274326098 | [
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[
5.77419251,
3.6290223,
4.01258086
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[
6.37432949,
7.3095723,
1.01... | [
true,
true,
true
] | C44H36N20 | C11H9N5 | A11B9C5 | [
"C",
"H",
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0.44,
0.36,
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6... | 100 | 3 | 0 | [
0,
0,
0
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"omdbv1_4239"
] | null | data/MD/1373/MD_1805345309678038649141373.json | data/MD/9557/MD_2533657463384503849259557.json | null | {"cod_id": "2013559", "hash": "2533657463384503849259557625112349117570610848561639381383843423246551272058769318151642636538648217303999628042093904739671431012660154718594540376933354", "id": "MD_2533657463384503849259557"} | {"input": {"kpoints": "6x6x6"}, "hash": "1805345309678038649141373775821908720953821209558291707229285288038923437608096556122479878684888599414233729964870529457137954655020180339895050726741703", "id": "MD_1805345309678038649141373"} |
PO_4977611998742520385780227 | 4977611998742520385780227096541950565423559398685477752235214006678369036211787498487070508373884167337293571148943330094410654982970569748239227421958950 | 2025-04-16T17:49:49 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.296654 | unknown | null | null | null | null | null | null | CO_1608947455745060603115515 | 1608947455745060603115515604659380375661255417222460595953241426056854484638182913009788167701731689025259266242682988253277303635709449776648008088598784 | 1185831481129621956479595201152381840187366171875528710254416028632927710472046224500191336423615496903112788280126937622624573936292343386435709962575601 | [
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[
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8.44043144... | [
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true,
true
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6... | 112 | 3 | 0 | [
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PO_1009097760766666251313685 | 10090977607666662513136854962023926482270401863990146588501986658441891245501301541106006071007138014292871304322314140824240194715831679697100125360995121 | 2025-04-16T21:37:22 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.693483 | unknown | null | null | null | null | null | null | CO_2415420690825575209870731 | 2415420690825575209870731047392683506383760648198731822050244715448229873698084878299389013102063870229470702369902069800292544018812053040750082167901355 | 4244243289393666560825026932176642647744360179539527878008621213044039269331425175891198141308823673510839324113855258409382486027295904498735780783386010 | [
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0,
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[
0,
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12.749
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[
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[
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[
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[
1.34584464,
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8... | [
true,
true,
true
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"C",
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6... | 114 | 5 | 0 | [
0,
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"omdbv1_8202"
] | null | data/MD/1373/MD_1805345309678038649141373.json | data/MD/2896/MD_8860847605720883138572896.json | null | {"cod_id": "7154264", "hash": "8860847605720883138572896095424773090299352705645760593257711919715335058560762568518521417870528239394992943670431691801575457514254602727368877829936926", "id": "MD_8860847605720883138572896"} | {"input": {"kpoints": "6x6x6"}, "hash": "1805345309678038649141373775821908720953821209558291707229285288038923437608096556122479878684888599414233729964870529457137954655020180339895050726741703", "id": "MD_1805345309678038649141373"} |
PO_1009237226764883581057378 | 10092372267648835810573782820798851602861177098131055899948930947645263658369815678115740950872081353740048941870879041460282615156138164410307782578768892 | 2025-04-16T20:37:32 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 1.718702 | unknown | null | null | null | null | null | null | CO_7312706057956307410510035 | 7312706057956307410510035222260731863138405605012287787753285559017818835380438791659473907280707838916577970849434954676688686897751681888658917926096462 | 5992305997678299783561687422692670617937641821775691567130691539852947772379825047155785510387989868650111670888283122960872972368294943183704881593128931 | [
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[
0,
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[
0,
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16.06
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[
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[
8.37680583,
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[
1.32868117,
2.93083,
1.10758... | [
true,
true,
true
] | C56H40N4S8 | C14H10NS2 | A14B10C2D | [
"C",
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0.5185185185185185,
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0,
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"omdbv1_7194"
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PO_1009284950735192652076348 | 10092849507351926520763487733502025979624817154584436095742999754161695043521447221030239653814703477000773598712324175897007481430821559743819823087734422 | 2025-04-16T15:43:58 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 4.10432 | unknown | null | null | null | null | null | null | CO_8068201252991772713608406 | 8068201252991772713608406441980254436105109885944177211276078973627927428213418656784983866368180345844883593908371298848903413264957363384333939479479174 | 1893649270992458472242111376209090358787139630950230973377942921735000649003658516886018997132133035251688531192365893247765928386863899786342054973416662 | [
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[
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0,
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[
0.28474987,
5.62470868,
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[
7.07250613,
3.68002032,
4.... | [
true,
true,
true
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