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] | null | data/MD/9706/MD_4984148203575716799799706.json | data/MD/2294/MD_7143360558477159642082294.json | null | {"id": "MD_7143360558477159642082294", "hash": "7143360558477159642082294160719086692315454296003003223431017438191160837190325471523038039474778999338649581137150416818824660198140430585845897793489161"} | {"input": {"cutoff": {"value": 500, "units": "eV"}, "kpoints": "6 x 6 x 1", "kpoints-scheme": "Monkhorst-Pack"}, "hash": "4984148203575716799799706827844664500317481102476254525171493376408955871805617221306825844694957117619742583902791250217499552788514727972407597425034603", "id": "MD_4984148203575716799799706"} |
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[
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true,
true,
true
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PO_1149062552261234761540707 | 11490625522612347615407075496909373440857783661883089595766814367627936674668680300286427927635348164575097654730841875933790597702241665966890725339624641 | 2025-04-16T21:37:17 | DS_ok9dbnj53zih_0 | 1 | Quantum ESPRESSO | DFT-PBE | null | [] | [] | null | null | null | null | -5.89889 | null | null | null | null | CO_7015719658690794655101290 | 7015719658690794655101290621907092992199243562393308166846540543888920607380312972973226836625138331784408996888339749696002717449738771969080975626988120 | 3368280875999269234667214087101270430236299149132048543210265509764373596976596859508500988265636515329191401897488772723484497204521257092148288877692100 | [
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[
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[
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[
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[
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[
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... | [
true,
true,
true
] | Mo4OOs12 | Mo4OOs12 | A12B4C | [
"Mo",
"O",
"Os"
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0.23529411764705882,
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76,
76,
76,
76,
76,
42,
42,
42,
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PO_1150953328675291535364877 | 11509533286752915353648775055639116477382332073564114773099581475355920270748360018748930369920756653905426157590466835544896234039184164757773604617072522 | 2025-04-16T18:16:02 | DS_ok9dbnj53zih_0 | 1 | Quantum ESPRESSO | DFT-PBE | null | [] | [] | null | null | null | null | -5.779347 | null | null | null | null | CO_1238912814517104865175605 | 12389128145171048651756050367045413611736733500018125834788829663566495333424203933638464940136390364955544259198182777048403371504730696277705646824129724 | 5581672168195502920799104926173661807527860524845266631528123448783438025229855895080925989896705844572723913974700876648602626281703727744527468453032741 | [
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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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true,
true,
true
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"Re",
"Ru"
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44,
75,
75,
75,
44,
75,
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75,
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[
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[
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[
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[
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[
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[
2.7224155074424896,
1.5717873260679325,
... | [
true,
true,
true
] | Co3OPd13 | Co3OPd13 | A13B3C | [
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"O",
"Pd"
] | [
0.17647058823529413,
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27,
46,
46,
46,
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46,
46,
46,
27,
46,
46,
46,
46,
8
] | 17 | 3 | 0 | [
0,
0,
0
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"tinnet_O_415"
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