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[
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0,
0,
0
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[
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0
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[
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[
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true,
true
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0,
0
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[
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true,
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8
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0,
0
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[
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true,
true,
true
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8
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0,
0,
0
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[
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true,
true
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[
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0
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[
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true,
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0
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[
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0,
0
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[
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true,
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0,
0
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[
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0.7... | [
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true,
true
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PO_4458812352531222069876747 | 4458812352531222069876747705229342039043573341262416719792958640466605437571963620900703559346511247516153803009434097082596454490840783707588654558020027 | 2025-04-16T18:30:32 | DS_ikx8oaixaoz0_0 | 1 | GPAW | DFT-rPBE | -100.560813 | [] | [] | null | null | null | null | 11.34861 | null | null | null | null | CO_1087715611058621375416926 | 10877156110586213754169269865197586113447778781428202606984157903531573444532375242084239378467977136145346649954741036343586432412609289153577410566740553 | 11910484786426450369716005912006553450907670913815179974997983280561026251641244986802752427397584059471172511157305423238706424482816800847876213708123912 | [
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[
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true,
true,
true
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[
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[
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[
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0.7... | [
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true,
true
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"Ir",
"O",
"Pd",
"Pt",
"Rh",
"Ru"
] | [
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0.058823529411764705,
0.11764705882352941,
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78,
45,
45,
77,
78,
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78,
44,
44,
8
] | 17 | 6 | 0 | [
0,
0,
0
] | [
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[
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true,
true
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"Ir",
"O",
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"Pt",
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"Ru"
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0.058823529411764705,
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44,
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77,
77,
8
] | 17 | 6 | 0 | [
0,
0,
0
] | [
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[
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0.7... | [
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true,
true
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"Ir",
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"Pt",
"Rh",
"Ru"
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0.17647058823529413,
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44,
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8
] | 17 | 6 | 0 | [
0,
0,
0
] | [
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[
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0.7... | [
true,
true,
true
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"Pt",
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77,
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45,
45,
8
] | 17 | 6 | 0 | [
0,
0,
0
] | [
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PO_1019524368149298174267258 | 10195243681492981742672587453481013846970492701180340522642631941533096605269124910535745779516100181072590953251440967071276078607193371234846703037907005 | 2025-04-16T21:22:14 | DS_ikx8oaixaoz0_0 | 1 | GPAW | DFT-rPBE | -111.260676 | [] | [] | null | null | null | null | 7.823947 | null | null | null | null | CO_4343776635391399792509806 | 4343776635391399792509806939953353997878286166119863514421328919692173998819923160527033904659056500415641168410704890314770974789779519291399993478331284 | 10350237845867402783038082858935418780513575266753793623042616527309357141170508417547915541678965620665026474492234784937079324015881178712131331889276251 | [
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[
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[
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[
4.147817667762169,
0.7... | [
true,
true,
true
] | IrOPd2Pt2Rh4Ru7 | IrOPd2Pt2Rh4Ru7 | A7B4C2D2EF | [
"Ir",
"O",
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"Pt",
"Rh",
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44,
44,
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44,
77,
46,
8
] | 17 | 6 | 0 | [
0,
0,
0
] | [
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PO_4634599212751112929147800 | 4634599212751112929147800205876746576909072976476245497682979074915476340085143060784087835147252362484843402543430474202870775897123325951433063116471958 | 2025-04-17T17:56:16 | DS_ikx8oaixaoz0_0 | 1 | GPAW | DFT-rPBE | -113.792945 | [] | [] | null | null | null | null | 9.721614 | null | null | null | null | CO_4609151945608732571328307 | 4609151945608732571328307166911888360215477302554332292817456658487978785230865323027362215093751040523686494071877749148908666337294409610622813996500584 | 12295471373984616514279429568199390958718050044948306154489438475554968346634321610301566363396151668917550789467390139118353902347876938569062207587217356 | [
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[
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[
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0.7982478823439912,
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[
4.147817667762169,
0.7... | [
true,
true,
true
] | Ir3OPd2Pt2Rh3Ru6 | Ir3OPd2Pt2Rh3Ru6 | A6B3C3D2E2F | [
"Ir",
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"Pd",
"Pt",
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77,
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44,
44,
44,
45,
46,
46,
8
] | 17 | 6 | 0 | [
0,
0,
0
] | [
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PO_4655442262052355150611023 | 4655442262052355150611023636790067616292017393782417171776553709394611843890769595531388333359562532324522564915382752714823091557168334796188617701374859 | 2025-04-16T16:26:57 | DS_ikx8oaixaoz0_0 | 1 | GPAW | DFT-rPBE | -90.678084 | [] | [] | null | null | null | null | 7.705235 | null | null | null | null | CO_4258343404158779210506268 | 4258343404158779210506268534232198564746547258679575040277966278751502397576814759793520407414312713571968772665285311305196307323737086194757582224813424 | 1798133459455026209101372295448546369416847768377333437977406551442697030008136678858258055980281454372354591917710465672075492884016655344291491090686265 | [
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[
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[
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0.7982478823439912,
9.757785962692951
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[
4.147817667762169,
0.7... | [
true,
true,
true
] | Ir2OPd5Pt3Rh5Ru | Ir2OPd5Pt3Rh5Ru | A5B5C3D2EF | [
"Ir",
"O",
"Pd",
"Pt",
"Rh",
"Ru"
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45,
46,
8
] | 17 | 6 | 0 | [
0,
0,
0
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PO_1020242590106814321295091 | 10202425901068143212950912589686164362285911601599159558159567417741826522465756160727207665597610996174196069988372824019729502707987097727532380783093237 | 2025-04-16T21:22:14 | DS_ikx8oaixaoz0_0 | 1 | GPAW | DFT-rPBE | -104.800281 | [] | [] | null | null | null | null | 12.337033 | null | null | null | null | CO_1275982746017655553690714 | 12759827460176555536907144029197400295460981852029078818885368732968991484013405292570167851299243386936029624468699308632128710264905799681544528441366270 | 1024201074486059992765684262718315883681716649679788401524508794146776617199358905726157631393293423448659462260882896855339219207456151718625784000685953 | [
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[
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[
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0.7982478823439912,
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[
4.147817667762169,
0.7... | [
true,
true,
true
] | IrOPd2Pt2Rh7Ru4 | IrOPd2Pt2Rh7Ru4 | A7B4C2D2EF | [
"Ir",
"O",
"Pd",
"Pt",
"Rh",
"Ru"
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0.058823529411764705,
0.11764705882352941,
0.11764705882352941,
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46,
45,
45,
46,
77,
45,
44,
45,
78,
44,
45,
8
] | 17 | 6 | 0 | [
0,
0,
0
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[
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true,
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[
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[
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true,
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[
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0
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[
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true,
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"O",
"Pd",
"Pt",
"Rh",
"Ru"
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0.23529411764705882,
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0,
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0
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[
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true,
true
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"Pt",
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0.11764705882352941,
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0,
0,
0
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[
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0.7... | [
true,
true,
true
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"Ir",
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"Ru"
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0,
0,
0
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[
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true,
true,
true
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"O",
"Pd",
"Pt",
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8
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0,
0,
0
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[
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0.7... | [
true,
true,
true
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8
] | 17 | 6 | 0 | [
0,
0,
0
] | [
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[
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[
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0.7... | [
true,
true,
true
] | Ir5OPd6Pt2RhRu2 | Ir5OPd6Pt2RhRu2 | A6B5C2D2EF | [
"Ir",
"O",
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"Rh",
"Ru"
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8
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0,
0,
0
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[
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0.7... | [
true,
true,
true
] | Ir2OPd5PtRh6Ru2 | Ir2OPd5PtRh6Ru2 | A6B5C2D2EF | [
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"Pt",
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0.29411764705882354,
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8
] | 17 | 6 | 0 | [
0,
0,
0
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PO_4517652772496685792252252 | 4517652772496685792252252409160709280056985921321511910519118586971098254639245633994621418979205337931841931279226852088835853416013780417669068880251327 | 2025-04-16T16:29:51 | DS_ikx8oaixaoz0_0 | 1 | GPAW | DFT-rPBE | -93.019823 | [] | [] | null | null | null | null | 14.961759 | null | null | null | null | CO_1143782550065194924313561 | 11437825500651949243135617300652792626925941419027254529926033046213813054072716517131575006231858729481487031069967342825283301495496177922274190576738448 | 7809471839690758071145941973911372440027093365685359507905024269567515688534438672779348366350673665004103677753191099806515587052040905965764002108367278 | [
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[
4.147817667762169,
0.7... | [
true,
true,
true
] | Ir2OPd4Pt5Rh4Ru | Ir2OPd4Pt5Rh4Ru | A5B4C4D2EF | [
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"O",
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"Pt",
"Rh",
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0.23529411764705882,
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45,
46,
46,
45,
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78,
77,
8
] | 17 | 6 | 0 | [
0,
0,
0
] | [
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[
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[
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[
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true,
true
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0,
0
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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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0
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[
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0.7... | [
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true,
true
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PO_1076896311221224420563392 | 10768963112212244205633924894884560603808510976681796092194632309736849948776149138518869756128373788787493226382006486410706383216196650071984927543657410 | 2025-04-16T21:43:25 | DS_ikx8oaixaoz0_0 | 1 | GPAW | DFT-rPBE | -102.671126 | [] | [] | null | null | null | null | 3.418206 | null | null | null | null | CO_7208019406413403446538926 | 7208019406413403446538926071960881708409441813102237343167004109963228244503019528999007574158113253106579633128858457243114259371040466659006526798412930 | 9074040105214828683097792790095591848128148800761840682164097680592640893128626569167160669307200491505411018172321454910078775747611100560094998060484826 | [
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[
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true,
true
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0
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PO_5104934759419113851169168 | 510493475941911385116916827945827272518204833702449333035611409749836843424581778080496814090753348790005196930163841022745885671253347164424740096672577 | 2025-04-16T17:32:26 | DS_ikx8oaixaoz0_0 | 1 | GPAW | DFT-rPBE | -93.370884 | [] | [] | null | null | null | null | 14.744243 | null | null | null | null | CO_6539510353814189247939344 | 653951035381418924793934416126787177393803451610848212828983522081996055257983549123138544249715761007794735688163168098866597331368639752134981394488901 | 3277852527997818505388971556726913932565080020801835966145083232836246834483977517064073678272278322127028779908217907093298322583221094895309850956466176 | [
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[
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0.7... | [
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true,
true
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0,
0,
0
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[
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true,
true,
true
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0
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[
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true,
true
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[
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true,
true
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0
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[
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0.7... | [
true,
true,
true
] | Ir3OPd2Pt2Rh5Ru4 | Ir3OPd2Pt2Rh5Ru4 | A5B4C3D2E2F | [
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8
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0,
0,
0
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PO_5179331312133156501975873 | 517933131213315650197587331946199956977884243103475058906143765774298586437090843698646364023132226214031158677130780816864022382200552120212900576056619 | 2025-04-16T16:46:19 | DS_ikx8oaixaoz0_0 | 1 | GPAW | DFT-rPBE | -112.402777 | [] | [] | null | null | null | null | 16.042451 | null | null | null | null | CO_2759929372195590929302866 | 2759929372195590929302866713800528424269400478508524558104220724900338274975660610499451390183900211951153330158742344890600277419881430195185929318246221 | 1969272680588674177602921778573190569204939578432497042458225977606308136955372283268775543811146802985203364285747716940190272487051545138883228215830977 | [
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[
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0.7... | [
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true,
true
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0
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[
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[
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[
4.147817667762169,
0.7... | [
true,
true,
true
] | Ir4OPd2Pt4Rh2Ru4 | Ir4OPd2Pt4Rh2Ru4 | A4B4C4D2E2F | [
"Ir",
"O",
"Pd",
"Pt",
"Rh",
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46,
77,
77,
45,
8
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0,
0,
0
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"AGRA_O_617"
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PO_1083027653412005254813245 | 10830276534120052548132458370210151163931608036420996393809368222346804049977895717676236722186132610256524294868744015389963609393827975611814479142677026 | 2025-04-16T20:58:52 | DS_ikx8oaixaoz0_0 | 1 | GPAW | DFT-rPBE | -95.341897 | [] | [] | null | null | null | null | 18.707437 | null | null | null | null | CO_1057380193266038019960704 | 10573801932660380199607049897641342878762001413812404176417146051429239298994966991864817740391217626406773113424260039964055271861435258629569765693353691 | 9857506358311096809317441334172921271807206859407218623109533776258153198496538461048539265656579590815577970637206820516195547052638686684312873169179182 | [
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[
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[
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[
4.147817667762169,
0.7... | [
true,
true,
true
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"Pd",
"Rh",
"Ru"
] | [
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46,
46,
45,
46,
46,
8
] | 17 | 5 | 0 | [
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PO_5200031282359666663691369 | 5200031282359666663691369713293873575585712077085439491448210970556168147145312927789330010949861198604530719347128299012540840215264284785733220945799921 | 2025-04-16T17:08:48 | DS_ikx8oaixaoz0_0 | 1 | GPAW | DFT-rPBE | -98.555595 | [] | [] | null | null | null | null | 13.358591 | null | null | null | null | CO_4763460855977771922825182 | 4763460855977771922825182849293308641086667681378926474580905280503405925574779486842023142001468497037575264394169919259286333998709017073038750397782358 | 1151443855512752669094933801004458161515089573262025889874621853966755728229759310552789347191910666634660404398509459617003926588535577789505443112981216 | [
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[
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[
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[
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0.7982478823439912,
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[
4.147817667762169,
0.7... | [
true,
true,
true
] | Ir2OPd4Pt2Rh5Ru3 | Ir2OPd4Pt2Rh5Ru3 | A5B4C3D2E2F | [
"Ir",
"O",
"Pd",
"Pt",
"Rh",
"Ru"
] | [
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45,
46,
45,
46,
77,
45,
45,
46,
78,
8
] | 17 | 6 | 0 | [
0,
0,
0
] | [
"AGRA_O_418"
] | null | data/MD/7637/MD_6846709538870588392517637.json | data/MD/4780/MD_1888413616195271002044780.json | null | {"id": "MD_1888413616195271002044780", "hash": "1888413616195271002044780383697576216198077317335961744366991630252868789146177731882668185827766067384316920303791753113623153464627191243049021958534391"} | {"input": {"encut": {"value": 400, "units": "eV"}, "kpoints-scheme": "Monkhorst-Pack"}, "hash": "6846709538870588392517637144544804551011610606024023172782505634989800412975869208788620785848095126747194723504937544788222614538433288369193869333688772", "id": "MD_6846709538870588392517637"} |
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