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] | null | data/MD/9706/MD_4984148203575716799799706.json | data/MD/1001/MD_7927249939042680111401001.json | null | {"id": "MD_7927249939042680111401001", "hash": "7927249939042680111401001215017504816194611268266997778418662858002842517378958994477427647180985802800979117004701874277313198009245758528399090766842903"} | {"input": {"cutoff": {"value": 500, "units": "eV"}, "kpoints": "6 x 6 x 1", "kpoints-scheme": "Monkhorst-Pack"}, "hash": "4984148203575716799799706827844664500317481102476254525171493376408955871805617221306825844694957117619742583902791250217499552788514727972407597425034603", "id": "MD_4984148203575716799799706"} |
PO_9417317902251873167924664 | 9417317902251873167924664458055350971253350875182993296084575756173601772280091986543192818519398188431241978561951583435245695632679409799251561752555343 | 2025-04-16T15:42:26 | DS_ok9dbnj53zih_0 | 1 | Quantum ESPRESSO | DFT-PBE | null | [] | [] | null | null | null | null | -4.002993 | null | null | null | null | CO_1100479583972926117711806 | 11004795839729261177118061753066211417239045389377267835263400969739186165543622907556515733323498186140126525674380607449140098107444222688082802001460161 | 1095539034864468828744892224564527529901605059648440289554819918773579214435762696443747538610586706302264845312239392018514376456822474863002062518322969 | [
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[
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[
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[
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9... | [
true,
true,
true
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"Cu",
"Ir",
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0.23529411764705882,
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77,
77,
77,
77,
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77,
29,
29,
29,
29,
77,
77,
77,
77,
8
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] | null | data/MD/9706/MD_4984148203575716799799706.json | data/MD/2984/MD_1095558468834877627112984.json | null | {"id": "MD_1095558468834877627112984", "hash": "10955584688348776271129844361425757197181961190129729677162127234191570319932111312557215320355987306388380986683904136622050945929864619662285921866865732"} | {"input": {"cutoff": {"value": 500, "units": "eV"}, "kpoints": "6 x 6 x 1", "kpoints-scheme": "Monkhorst-Pack"}, "hash": "4984148203575716799799706827844664500317481102476254525171493376408955871805617221306825844694957117619742583902791250217499552788514727972407597425034603", "id": "MD_4984148203575716799799706"} |
PO_2911367538241782500917952 | 2911367538241782500917952768140867816798051540175595346740066329583247349859948294525474026733635218079458581221911040416198480966134887091376969729026244 | 2025-04-16T18:06:57 | DS_ok9dbnj53zih_0 | 1 | Quantum ESPRESSO | DFT-PBE | null | [] | [] | null | null | null | null | -6.126492 | null | null | null | null | CO_9555371485451542622009004 | 9555371485451542622009004232377920844654123548031902218349053033645595272622231883702202078312767889548071338414347969886591898947358062246340596831548862 | 5148592754778642363834673225770908142765866773153519052946641807472778872698577380633378283944493416095134123086753058815002918013235219227901817411948576 | [
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[
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0
],
[
0,
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] | [
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[
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[
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[
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[
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1.7337875352090926,
9.951945846566119
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[
-8.881784197001252e-16,
... | [
true,
true,
true
] | Ag12OSc4 | Ag12OSc4 | A12B4C | [
"Ag",
"O",
"Sc"
] | [
0.7058823529411765,
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21,
47,
47,
47,
21,
47,
47,
47,
21,
47,
47,
47,
21,
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] | 17 | 3 | 0 | [
0,
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0
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"tinnet_O_544"
] | null | data/MD/9706/MD_4984148203575716799799706.json | data/MD/6288/MD_9475324730482722411686288.json | null | {"id": "MD_9475324730482722411686288", "hash": "9475324730482722411686288309156635480539545539348464998768810476007961219908519546999455699146756551499106526168145610116297332128615119297800235835506782"} | {"input": {"cutoff": {"value": 500, "units": "eV"}, "kpoints": "6 x 6 x 1", "kpoints-scheme": "Monkhorst-Pack"}, "hash": "4984148203575716799799706827844664500317481102476254525171493376408955871805617221306825844694957117619742583902791250217499552788514727972407597425034603", "id": "MD_4984148203575716799799706"} |
PO_9438880952851668787006137 | 943888095285166878700613708999043032226342352440440299703260011305321775295593608021095162200725327984716144960829453986579334658527595391418401350089531 | 2025-04-16T18:05:53 | DS_ok9dbnj53zih_0 | 1 | Quantum ESPRESSO | DFT-PBE | null | [] | [] | null | null | null | null | -5.6893 | null | null | null | null | CO_1712913289805226108115811 | 1712913289805226108115811228718209234564707929816939753727624623421906170792973225833326509842832843547777314776483781556930445297161046548960438645171054 | 9360894414658128589978158688091162020080739010020751020665940125899722266225519581365022914660484526350528562993288631226681148774785360461582732321951276 | [
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[
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0
],
[
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[
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[
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[
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7.500000000000002
],
[
2.7414314431437945,
1.5827661816639738,
... | [
true,
true,
true
] | OOs4Re12 | OOs4Re12 | A12B4C | [
"O",
"Os",
"Re"
] | [
0.058823529411764705,
0.23529411764705882,
0.7058823529411765
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75,
75,
76,
75,
75,
75,
76,
75,
75,
75,
76,
75,
75,
75,
76,
8
] | 17 | 3 | 0 | [
0,
0,
0
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"tinnet_O_704"
] | null | data/MD/9706/MD_4984148203575716799799706.json | data/MD/5476/MD_1885065255330165915975476.json | null | {"id": "MD_1885065255330165915975476", "hash": "1885065255330165915975476513494477245624563333657901203264825108151158939654908504529307711342208042448913280047086822299651168654170224091659820337389750"} | {"input": {"cutoff": {"value": 500, "units": "eV"}, "kpoints": "6 x 6 x 1", "kpoints-scheme": "Monkhorst-Pack"}, "hash": "4984148203575716799799706827844664500317481102476254525171493376408955871805617221306825844694957117619742583902791250217499552788514727972407597425034603", "id": "MD_4984148203575716799799706"} |
PO_9438103605075575289443763 | 9438103605075575289443763866835736904694839487641187764092929999910265336809199394617128704963859358459913888131627481810849222633204942494334739144945814 | 2025-04-16T17:25:54 | DS_ok9dbnj53zih_0 | 1 | Quantum ESPRESSO | DFT-PBE | null | [] | [] | null | null | null | null | -4.35132 | null | null | null | null | CO_1023534179399372759857842 | 10235341793993727598578422234935846366675097543096062397654358773002793024368154014497995595002287387038577866508522207314518955821289796676708623409805516 | 12606543625735018181608941226995789612690036613080759948198130878723877753363134610522806286181783591174552690807070203165129337094763972195354279707974829 | [
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[
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[
0,
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[
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[
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[
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[
1.3958768508360588,
0.8059098755857654,
9.779457352207608
],
[
4.1876305525081765,
... | [
true,
true,
true
] | Fe2OPd14 | Fe2OPd14 | A14B2C | [
"Fe",
"O",
"Pd"
] | [
0.11764705882352941,
0.058823529411764705,
0.8235294117647058
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46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
26,
26,
8
] | 17 | 3 | 0 | [
0,
0,
0
] | [
"tinnet_O_144"
] | null | data/MD/9706/MD_4984148203575716799799706.json | data/MD/3761/MD_5202388579293302726073761.json | null | {"id": "MD_5202388579293302726073761", "hash": "5202388579293302726073761024823072333675307045308407336033947551950487466484864561915295132648760206162843767203636748263136572517563353748743724682522630"} | {"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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