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PO_1051327238354714203096955 | 10513272383547142030969550058848497795497047760314037370398710298575848810089261553826507819110798009366548598373777994010184590023072760792547745933743165 | 2025-04-16T18:24:27 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 4.616888 | unknown | null | null | null | null | null | null | CO_2392124616534237495880062 | 2392124616534237495880062082096480180335476721724276388519893933337047882211467684858523074870653921429284382744172415606986038658887681105097321273210202 | 8338985080258255102915041551259312845189439895939800302048345650113679331888204103208704596210138888901283411886113671689689571400038825584222558170649739 | [
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PO_4486820578367538162290089 | 4486820578367538162290089664071881293928415542173702253050498311422072820178195147468891350389780493829866621424377206668128091787494633705171335039295885 | 2025-04-16T20:35:09 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.359368 | unknown | null | null | null | null | null | null | CO_3352078528050795977986921 | 3352078528050795977986921180342249572356344241153182718438555665851639889763751012034342465301990343916837437750896980647090234385272858304110464365509663 | 6927919214849146869592508928215381340358557818816497196180722249051065871697818525657341747479303988828047784273832609370131140427549255454811937322181086 | [
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] | C26H24O4S4 | C13H12O2S2 | A13B12C2D2 | [
"C",
"H",
"O",
"S"
] | [
0.4482758620689655,
0.41379310344827586,
0.06896551724137931,
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6,
16,
16,
16,
16,
8,
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] | 58 | 4 | 0 | [
0,
0,
0
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PO_4528203513051601961447888 | 4528203513051601961447888528097122890534698681204772324285634077602462661835592410585217022448218266706387347034370391840856432462257969315847372781492101 | 2025-04-16T21:27:46 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.689197 | unknown | null | null | null | null | null | null | CO_1240084429308490867290327 | 12400844293084908672903273217312943281966681118344266474829129087785292266261025175253695161672850267910112799407687350217984844602181948055119396777637708 | 4938935132305324973407519776936324111681538587838626270882363810073824887931232439176052200694975044402550071758112217539307490401423841136490043333408275 | [
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32.266
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[
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[
3.0940592,
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[
3.2319085,
3.0940592,
25.5449922
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[
0.7964085,
4.2124408,
14.7875078
... | [
true,
true,
true
] | C8H24N24O24 | CH3N3O3 | A3B3C3D | [
"C",
"H",
"N",
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] | [
0.1,
0.3,
0.3,
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7,
7,
7,
7,
8,
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8,
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8... | 80 | 4 | 0 | [
0,
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0
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"omdbv1_8139"
] | null | data/MD/1373/MD_1805345309678038649141373.json | data/MD/8843/MD_1780673868299980490358843.json | null | {"cod_id": "4122417", "hash": "1780673868299980490358843274326638419511706983958293209285810767110972322980255896731949512400906907695238681092235911710832119084297502145134786776303965", "id": "MD_1780673868299980490358843"} | {"input": {"kpoints": "6x6x6"}, "hash": "1805345309678038649141373775821908720953821209558291707229285288038923437608096556122479878684888599414233729964870529457137954655020180339895050726741703", "id": "MD_1805345309678038649141373"} |
PO_4528863623511788157583301 | 4528863623511788157583301680653831924807551688288118956121237900998549037766436923068206819412651891962408599046496350067959310044614445597527252498251088 | 2025-04-16T21:57:13 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 4.515446 | unknown | null | null | null | null | null | null | CO_9879881814579516720214755 | 9879881814579516720214755794387716915090801104419748007649746345173344787242653615224548188384999444051158418952259337539595137676313422393703197519779545 | 11606482108924750174896913924987946427982495951771307478980554667449421484772224785820045911182814239975749007482359208401425755993685894832345075552637409 | [
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[
0,
5.6179,
0
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[
0,
0,
11.803
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[
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[
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[
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[
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[
7.93452478,
3.89994618,
0.07272974
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[
2.83437422,
1.09099618,
... | [
true,
true,
true
] | C32H46N2O2 | C16H23NO | A23B16CD | [
"C",
"H",
"N",
"O"
] | [
0.3902439024390244,
0.5609756097560976,
0.024390243902439025,
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6,
6,
6,
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6... | 82 | 4 | 0 | [
0,
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"omdbv1_3721"
] | null | data/MD/1373/MD_1805345309678038649141373.json | data/MD/9587/MD_1831363585032288431139587.json | null | {"cod_id": "4022080", "hash": "1831363585032288431139587155794548689849736094104587106555194153910771903088126146493404550756920669018451429265466316401223820800934994922345807473171357", "id": "MD_1831363585032288431139587"} | {"input": {"kpoints": "6x6x6"}, "hash": "1805345309678038649141373775821908720953821209558291707229285288038923437608096556122479878684888599414233729964870529457137954655020180339895050726741703", "id": "MD_1805345309678038649141373"} |
PO_4526219835095041861444068 | 4526219835095041861444068198793393116485820277522357149950072045931721881587908331540076082528087709146204905057114145333372455623166417428234017613205040 | 2025-04-16T16:06:55 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.349752 | unknown | null | null | null | null | null | null | CO_1273875413690364314345094 | 1273875413690364314345094923173158100473764269675362871007160115654871616064963977897111040036070229687070597777643294815221463430262659602621540008712141 | 13376754023186523287845088323585650020707659059327414199061519687650425029366242891271692012032901859554096891253716078774673721572853804740293377115763780 | [
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0,
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0,
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11.486
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[
2.6639891,
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4.95545895
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[
7.4922789,
8.1894876,
5.49... | [
true,
true,
true
] | C38H52Br2N6O10 | BrC19H26N3O5 | A26B19C5D3E | [
"Br",
"C",
"H",
"N",
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0.018518518518518517,
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0.48148148148148145,
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6... | 108 | 5 | 0 | [
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"omdbv1_1085"
] | null | data/MD/1373/MD_1805345309678038649141373.json | data/MD/3353/MD_6654498304429661722703353.json | null | {"cod_id": "4022660", "hash": "6654498304429661722703353102513980946203924512743628382788938954223558660181084493205175369512948106488742306319116903942115815505932558081483719002879033", "id": "MD_6654498304429661722703353"} | {"input": {"kpoints": "6x6x6"}, "hash": "1805345309678038649141373775821908720953821209558291707229285288038923437608096556122479878684888599414233729964870529457137954655020180339895050726741703", "id": "MD_1805345309678038649141373"} |
PO_1053533919341875691443780 | 10535339193418756914437805098763341590843402771237729283782298429878530071863011049347763592044315302510619152965553953281703999578139814759041491804832188 | 2025-04-16T16:08:30 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 1.385935 | unknown | null | null | null | null | null | null | CO_1226859811103005234701987 | 12268598111030052347019877393982483423535500159645454203105398842929976053910107935462509244873345386760211003473273900893394071931244724099553063394960858 | 820052444026232698567412475135869047568204394028770976334495072481285220640572526084837076903157198402282995180391162955823581339516580012371445758578322 | [
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[
0,
9.929,
0
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[
0,
0,
15.084
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] | [
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[
3.13741274,
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2.91555916
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[
0.29295326,
5.4539997,
4.00612... | [
true,
true,
true
] | C48H28N12O4 | C12H7N3O | A12B7C3D | [
"C",
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"N",
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] | [
0.5217391304347826,
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6... | 92 | 4 | 0 | [
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] | null | data/MD/1373/MD_1805345309678038649141373.json | data/MD/8803/MD_5044867541942411657118803.json | null | {"cod_id": "2238229", "hash": "5044867541942411657118803672553641185736558467900854591731254051937937176835516279894732743798106630790103883772950017560435844633102500064962858055424400", "id": "MD_5044867541942411657118803"} | {"input": {"kpoints": "6x6x6"}, "hash": "1805345309678038649141373775821908720953821209558291707229285288038923437608096556122479878684888599414233729964870529457137954655020180339895050726741703", "id": "MD_1805345309678038649141373"} |
PO_1053521210873580196033573 | 10535212108735801960335738805426636974996227381741737645696338166691196636786392022561561224836838925477976760017028594884895293086930730315027534943346492 | 2025-04-16T18:08:49 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.073814 | unknown | null | null | null | null | null | null | CO_2998028819397057033631727 | 2998028819397057033631727641419735982673567063951700503811873008095714099827926336122214478655162579215213751319876975569794432294217633220695933630224351 | 8380653755214852440124174966554843968746351313836067721808390085314405598121151460761381702224901411277380190085623432299247642863768812278365335576247153 | [
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0,
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0,
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0.29308521
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[
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2.7766825,
6.23067379
... | [
true,
true,
true
] | C12H28Cl4O4Sn4 | C3ClH7OSn | A7B3CDE | [
"C",
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"H",
"O",
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] | [
0.23076923076923078,
0.07692307692307693,
0.5384615384615384,
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17,
17,
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8,
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8
] | 52 | 5 | 0 | [
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] | null | data/MD/1373/MD_1805345309678038649141373.json | data/MD/1274/MD_4476928670385655911941274.json | null | {"cod_id": "4084638", "hash": "4476928670385655911941274945050882141984230341765482471081390994124604647787271176258383529462538596771839797037423901286852361598228074237774798179847091", "id": "MD_4476928670385655911941274"} | {"input": {"kpoints": "6x6x6"}, "hash": "1805345309678038649141373775821908720953821209558291707229285288038923437608096556122479878684888599414233729964870529457137954655020180339895050726741703", "id": "MD_1805345309678038649141373"} |
PO_1053747759516433625034151 | 10537477595164336250341518396518046959355712965597381734977921490187241259437515054122956381945938741926673392647869471303836416117664622549632039182151836 | 2025-04-16T16:09:21 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.327807 | unknown | null | null | null | null | null | null | CO_1065249623102131064547208 | 10652496231021310645472086136940183430291417956635813914335587834182073578401826051944722508523339308707990791395874940263527920536699768103225496015842611 | 10537235282534515873963852804011072167282515902672435966394960678026273631930205797433832094301465830589742981148242502857401696726843100698770860125726291 | [
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0,
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] | [
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[
3.67750702,
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4.38001281
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[
1.12341598,
5.9939446,
9.3... | [
true,
true,
true
] | C8H16Br4N12 | BrC2H4N3 | A4B3C2D | [
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"C",
"H",
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] | [
0.1,
0.2,
0.4,
0.3
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35,
35,
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7,
7,
7,
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7,
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7,
7
] | 40 | 4 | 0 | [
0,
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0
] | [
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] | null | data/MD/1373/MD_1805345309678038649141373.json | data/MD/6850/MD_1095924099616011762116850.json | null | {"cod_id": "2212235", "hash": "1095924099616011762116850098467262474018311431478028040749344762036411568081275491839581802315252210976214763734659126853076553193199263687278664847022799", "id": "MD_1095924099616011762116850"} | {"input": {"kpoints": "6x6x6"}, "hash": "1805345309678038649141373775821908720953821209558291707229285288038923437608096556122479878684888599414233729964870529457137954655020180339895050726741703", "id": "MD_1805345309678038649141373"} |
PO_1053354815559765238607478 | 10533548155597652386074780265427413623001236234418066654582302642721045816275936343501094688507772815924479565590003073632891609297373863873597066808750601 | 2025-04-16T21:37:22 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.655801 | unknown | null | null | null | null | null | null | CO_6631225188384537217944263 | 6631225188384537217944263648687932628834713770235232134811758036236589649414291732555157293663885538211008507421559159537367298216192956724763539957882124 | 5635044928500768216100795943041331076584724100281549546373239462229508303978317023817741269294395630813678488788927684055545198750752813846858979616005924 | [
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0,
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[
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true,
true,
true
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"Br",
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0.02631578947368421,
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PO_1053350168069935992564126 | 10533501680699359925641267640337146382539202734486627035300585451511996686869276959145286629981941717738118039429370973307554667521801921743820957906065406 | 2025-04-16T16:08:56 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.06637 | unknown | null | null | null | null | null | null | CO_1801618788377316457266008 | 1801618788377316457266008047489571705091717620902651412788086599129223125584662078823196854754654641718207274319611513579453154162837289152837928902820802 | 9108229732451184892314994202002580782182108315816499805783471426314020598235257349745914588598506059920291185004009958085944482318531066673220799930086573 | [
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[
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4.9... | [
true,
true,
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PO_1053345863622714461043790 | 10533458636227144610437905228530754896428851606972655743940519115427930906502860917012125605006882701571811630936522930096513268450039021348403788705369888 | 2025-04-16T20:51:28 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.663573 | unknown | null | null | null | null | null | null | CO_7491138374226249478670987 | 7491138374226249478670987277702055105632329431600858757944467484845674680655617955347468061339959193505254061259855826481400930517795857847713042653612333 | 10461119081606516280871222190219060757071704353698509565862446616868552432405615851054384491976390532496853647085992909437697961204734445140982116450399545 | [
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[
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true,
true,
true
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PO_1053447670202924578958757 | 10534476702029245789587570110192422849161044973553028777637003690736932830637953230772005231053098350020204632135010476153275359850259273645919748300663112 | 2025-04-16T17:32:46 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.812672 | unknown | null | null | null | null | null | null | CO_1230888485404757678644966 | 12308884854047576786449663475281551487886020900283960572156741979365413150361813352118194783144983897430431745000965647991831181998902121862781113820686485 | 10492431963186802581639299884606560963357845919728181207267771504838822288284656791055703259512138477484635377517700898315697401025748496929602315472095636 | [
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PO_1053695875289695286468212 | 10536958752896952864682125240135367237424593044348865555056907101704618769077643605990900218804021749056318777300823159075655784955438000152343991936976960 | 2025-04-17T17:56:16 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 4.206994 | unknown | null | null | null | null | null | null | CO_7307153531706087893258972 | 7307153531706087893258972423268717071628498127201483958133721470249352949472370256891963662951897673412670215190790721012416097679765173711397656160495229 | 728062890329203393405991644725645087913897126537590516144677919160120283949322364944908320341944428543015423262319342088714789764168191631445536910862795 | [
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[
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1.144606... | [
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true
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PO_1053143356031726356418713 | 10531433560317263564187135112559982633491447243232008109720870628535093831480177116305627191023614764168599494701747052184975721954692567593689842168022329 | 2025-04-16T18:07:48 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.433619 | unknown | null | null | null | null | null | null | CO_7090342388041354049782378 | 7090342388041354049782378923857391822991320620004673923050369636160366366787724052116600198588455770593664173942467410400086289712118082467934412205122369 | 4229762810244605877425351087295363095757423225389690309709360945019511832661099694249004086851909319163531127138088426975884844546617085367077712495376665 | [
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[
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PO_1053605023866666746501992 | 10536050238666667465019924143941913810483461730827478807884090838277287074270591465181453645377431161865107501235289528050953353493422348739754447809391142 | 2025-04-16T22:04:30 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.518159 | unknown | null | null | null | null | null | null | CO_1057296535964351269092091 | 10572965359643512690920916455672249516557734067472006456719628242917727356756652429652586126697787352810078926939381743921884647920771087037365964925227128 | 3651338209530128723682636821748117565537416816402047432194123766832664702566326908778901037087880449780925009176304905359990662675017821200535893350576357 | [
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0.00868872,... | [
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true
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PO_1052919614652176773613268 | 10529196146521767736132682827840987635989776770282665597263702108624761322367317435816881779704681341198261657084030138894964473133055513956385862150953981 | 2025-04-16T22:03:29 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0 | unknown | null | null | null | null | null | null | CO_1115071338228605034241097 | 11150713382286050342410973501716081662086867783202607320990646155863562883698350441582821538407121696385609193819467068449874359909177366863614013905634617 | 2520812016381024838561914560560350069388554495496190339839674354192670269379236844710493135270473788954375409865531337431100892406134368243269972605355669 | [
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[
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... | [
true,
true,
true
] | C16H8I7S12 | C16H8I7S12 | A16B12C8D7 | [
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0.37209302325581395,
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53,
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] | 43 | 4 | 0 | [
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PO_1014855150395611337113267 | 10148551503956113371132673851210317024942997661023217880843694104010533430394408241972305033856084046533972693312137897012252806867138607657936064466835114 | 2025-04-16T22:03:29 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.077134 | unknown | null | null | null | null | null | null | CO_2261902655304073373501598 | 2261902655304073373501598754496071824935118432095161722294711260090137066143340795430644273536864590994840648945062652322296636790015747843078675838259246 | 7045338290726804672994158623400977576147410100068396153616406941043771670501599757766099284752227578384100888215899998219486856065862553594956670078032444 | [
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[
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true,
true,
true
] | C44H52Si4 | C11H13Si | A13B11C | [
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PO_1051687755753802381567469 | 10516877557538023815674691655574966514824549741690070079100349950450931377494681779884821144450204752831334207758160131988053909290958337231985969704750770 | 2025-04-16T21:52:07 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.145285 | unknown | null | null | null | null | null | null | CO_2005136457831051765604471 | 2005136457831051765604471600301343281696574457726482197931344579189744886454672622571329036977830348203054460188861561387191754399840605468878090704554258 | 11065761589242442556074911163691231425186639496924789107329369771797101440951985843825860629386724925035747393219104401691063857426298560736851178789940418 | [
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[
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11.58665209,... | [
true,
true,
true
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PO_1050683561902181763784015 | 10506835619021817637840150891641566321407733111504793874235345042706156803019501868094915820022051357441402087935373219691529662811067272351994004159568599 | 2025-04-16T20:52:01 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.493749 | unknown | null | null | null | null | null | null | CO_6383073109742480676407719 | 638307310974248067640771938878805501210906790019139297957877910799924501955465683506586451154972808625538394867930129503459128765502669085156463407125667 | 6903073297833892269706586593699997781184866828880575698532993728696531065823294604670241481654561655860638039027312493364342073755288238617690410007393078 | [
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true,
true,
true
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PO_1051268259216916172814370 | 1051268259216916172814370723901727117768309096122191122049548287908893710588284637593987489030833944148106052438156518546203169480504667139076011853066249 | 2025-04-16T22:04:30 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.777329 | unknown | null | null | null | null | null | null | CO_2995515629489916967373427 | 2995515629489916967373427978824811570391717120039508989825029102116924657279803945368966705422653982735704641965154014355382843376845282660428481577486894 | 8115035663969426964135944520419706692065222472097919718353573770544102410795512761757570336282591670776198687566280137369750475873509720742011937460189533 | [
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true,
true
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[
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true,
true,
true
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6... | 94 | 4 | 0 | [
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"omdbv1_6817"
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PO_4555698986816345590773863 | 4555698986816345590773863793356182986612410528650418742450462436067403938511971662253218262963210775693890900739488322707134422819186739969339742859357899 | 2025-04-16T15:44:44 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.268173 | unknown | null | null | null | null | null | null | CO_8111497395470962151706184 | 8111497395470962151706184557461449607665805068492530233785048923762121019233734738562161131380140699319642420248075964932276484393718907677923801614126335 | 5372977168286137944378838046673823927657210633880786838685411360369523696596303774572333495157250594704726732799873916610030088464909111421086698584908258 | [
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PO_4555359296969629953126688 | 4555359296969629953126688571426168829108805369244497116497510230450334729032378047749309054136120295658198151367469121887335463934048398337341982282390793 | 2025-04-16T21:22:14 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.607834 | unknown | null | null | null | null | null | null | CO_8305425192016421418654596 | 8305425192016421418654596543758634365556620730376556588264806974734329087469785271682411477329140470001226404706981199816432945341297322382221697002254624 | 8805545507934226469646739181251669060432699810234298826564102545915902104066336495552731235467781047275396640296419842362841453247651571623222690764518405 | [
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PO_4556111070219396204992584 | 4556111070219396204992584897928911899561689422392131380031833166043028391349272696553447073025853624459580619783103802210404291190208739505572091651518778 | 2025-04-16T16:47:26 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.014321 | unknown | null | null | null | null | null | null | CO_1002758950609685014707543 | 10027589506096850147075438818776204751920387870261535484627349195216311874902579819668122297478389027907445706405452717210381354461362047469325850361681340 | 6579265207438230040774351281212237927176619734040850639372707919623376742806363243394169834645611054295220026606653718738658064030064979388418849810894859 | [
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PO_4561537568774763257078492 | 4561537568774763257078492395566445971408965689362551854432222634367699201068530068282371402651218493767874866778699538581798964480090119632568177713670011 | 2025-04-16T17:17:08 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.300485 | unknown | null | null | null | null | null | null | CO_4254573376010175050772485 | 4254573376010175050772485439862368037297163824470130437300031824017844990213476211045536202788506330317946837426546667754337511801777942539380365863568953 | 2007977506647857940957819064031197508616532875736419518562170940312846364555865431843481823680747772455774859390068683642492998811414711068099072507475760 | [
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