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DS_ffsgl0wufoft_0
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VASP
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rPBE
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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HNNiOPt7Zn8
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A8B7CDEF
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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HNNiOPt7V8
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A8B7CDEF
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78,
23,
23,
78,
78,
23,
23,
78,
28,
23,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_21"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/3146/MD_7900294354337858289483146.json
| null |
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PO_6592670004556615295087107
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6592670004556615295087107413394482900138790632272809922997089881177368402584170388087285459798957292774893746763782751991932109644625506302962925648146191
| 2025-04-16T21:30:02
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.613694
| null | null | null | null |
CO_5068008434179142960219270
|
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[
true,
true,
true
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HNOPd4Pt11Ru
|
HNOPd4Pt11Ru
|
A11B4CDEF
|
[
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"N",
"O",
"Pd",
"Pt",
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[
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0.21052631578947367,
0.5789473684210527,
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46,
78,
78,
46,
78,
78,
78,
78,
46,
78,
44,
46,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_299"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/4757/MD_4689649397735544237644757.json
| null |
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|
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|
PO_1208644896094214055922550
|
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| 2025-04-16T20:58:52
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.888262
| null | null | null | null |
CO_2918287518713522654681284
|
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0
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22.0315
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[
true,
true,
true
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HCu4NOPt12
|
Cu4HNOPt12
|
A12B4CDE
|
[
"Cu",
"H",
"N",
"O",
"Pt"
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[
0.21052631578947367,
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0.05263157894736842,
0.05263157894736842,
0.631578947368421
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29,
78,
78,
29,
78,
78,
78,
78,
29,
78,
78,
29,
8,
1,
7
] | 19
| 5
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_300"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/0239/MD_5990108217149634902060239.json
| null |
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|
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|
PO_1209829215604300952002543
|
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| 2025-04-16T21:43:16
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.44052
| null | null | null | null |
CO_1278830349415572041650694
|
12788303494155720416506941824464351957247866821966440292631656857007003175501072098872224174346356306152619074029951339377103611613724380905795719205526041
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] |
[
true,
true,
true
] |
HIrNOPd8Pt7
|
HIrNOPd8Pt7
|
A8B7CDEF
|
[
"H",
"Ir",
"N",
"O",
"Pd",
"Pt"
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[
0.05263157894736842,
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0.42105263157894735,
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[
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78,
78,
46,
46,
78,
78,
46,
46,
78,
77,
46,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_20"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/4790/MD_2951750941138686778624790.json
| null |
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|
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|
PO_1212997829709538656735521
|
12129978297095386567355215874243168860526186148552221496667700799638353569848273547685146083637760687119617471699076025662617539988315208963215022400807088
| 2025-04-16T21:22:14
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.376244
| null | null | null | null |
CO_2185219089544990415570906
|
2185219089544990415570906965682417591919482554320006052815004710495766062965399513773946591272741593193275495070543159411246182640317560204685335822683931
|
12850663831169984539191429718277840988886834987836132585992012221762367991536400295796876097782629301465860114480205410977543034829984375322400204795734363
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] |
[
true,
true,
true
] |
HNOPt7Ru8W
|
HNOPt7Ru8W
|
A8B7CDEF
|
[
"H",
"N",
"O",
"Pt",
"Ru",
"W"
] |
[
0.05263157894736842,
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0.3684210526315789,
0.42105263157894735,
0.05263157894736842
] |
[
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44,
78,
78,
44,
44,
78,
78,
44,
44,
78,
74,
44,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_68"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/8641/MD_2027722239754393109268641.json
| null |
{"id": "MD_2027722239754393109268641", "hash": "2027722239754393109268641068437876390373700043157382238731623269037436698573776153423054654022522728004930348371184542975144867090635678687561527319656964"}
|
{"input": {"ediffg": 0.05, "encut": {"value": 450, "units": "eV"}, "kpoints": "6 x 6 x 1", "kpoints-scheme": "Monkhorst-Pack"}, "hash": "4028144322349616297502239124301263663854446381285356334432667947702206429351758802912926798969881481295004074299236507316639485501574642685784644127582811", "id": "MD_4028144322349616297502239"}
|
PO_6637067501639971231210104
|
6637067501639971231210104099737759255894829968919197441187788379513042714882136817919667032630448630662640694688354997401016659976419006382169339940285584
| 2025-04-16T21:43:25
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.431046
| null | null | null | null |
CO_1252466350495737145858252
|
12524663504957371458582523512658253948907261275700362922603080018830579969020507069503442821726820386370892636607925209147237962554352943605755926829778274
|
10251059412043571475794146698003249061630945845586619864702540042069510234169118485855727077911925769614639707394455997139813374426491703518625457917446017
|
[
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0,
0
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[
0,
5.526746601754056,
0
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[
0,
0,
35.862
]
] |
[
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15
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22.012
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] |
[
true,
true,
true
] |
HCo4CuNOPt11
|
Co4CuHNOPt11
|
A11B4CDEF
|
[
"Co",
"Cu",
"H",
"N",
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data/MD/9315/MD_1026284357899564847049315.json
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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data/MD/0810/MD_6414595735462724626220810.json
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PO_6678478589050855554703975
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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A8B7CDEF
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data/MD/3357/MD_6659451136725489497333357.json
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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HCoNOPt7Tc8
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CoHNOPt7Tc8
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A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/5269/MD_1251984767518365113035269.json
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PO_6718783695915158033235234
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| 2025-04-16T22:03:29
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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HNOPd8Pt7Ru
|
HNOPd8Pt7Ru
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A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/4177/MD_9593701681642638999034177.json
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PO_6719925927483467049982869
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|
DS_ffsgl0wufoft_0
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VASP
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rPBE
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CO_6417958473043712994775129
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HIrNOPt7Zn8
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HIrNOPt7Zn8
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A8B7CDEF
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/1693/MD_1041619814254416375301693.json
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PO_1218467277415907233508266
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DS_ffsgl0wufoft_0
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VASP
|
rPBE
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CO_9276966333163066581628271
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HCo4NOPt11Zn
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Co4HNOPt11Zn
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A11B4CDEF
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0
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/9841/MD_9669062131285340638439841.json
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PO_6734379790450491523649345
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| 2025-04-16T21:51:00
|
DS_ffsgl0wufoft_0
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VASP
|
rPBE
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[] |
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CO_1238540207185501230135680
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true
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HNOPt7Rh9
|
HNOPt7Rh9
|
A9B7CDE
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[
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| 5
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[
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0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/8646/MD_4872442943279081536848646.json
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PO_6750717838042929585306501
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| 2025-04-16T17:57:37
|
DS_ffsgl0wufoft_0
| 1
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VASP
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rPBE
| null |
[] |
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CO_1170782937498583538731817
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[
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HCoHf4NOPt11
|
CoHHf4NOPt11
|
A11B4CDEF
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[
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78,
78,
78,
72,
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27,
72,
8,
1,
7
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| 6
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/0659/MD_3739513038817197950960659.json
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PO_1223370450129170553820546
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| 2025-04-16T17:20:02
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.285671
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CO_1179848946707265564271467
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true,
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true
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HAu8NOPdPt7
|
Au8HNOPdPt7
|
A8B7CDEF
|
[
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79,
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46,
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| 6
| 0
|
[
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0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/4478/MD_5911467690092124776954478.json
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PO_1226949245138953701944590
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| 2025-04-16T18:45:26
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.585977
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CO_7101002734321376496242406
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true
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HCo8IrNOPt7
|
Co8HIrNOPt7
|
A8B7CDEF
|
[
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77,
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| 6
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|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/4341/MD_5358105518624495103714341.json
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PO_1229354005352166112329739
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| 2025-04-17T18:48:22
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.796764
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CO_5330588303837612946924845
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true,
true
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HNOPt11RuZn4
|
HNOPt11RuZn4
|
A11B4CDEF
|
[
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8,
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| 6
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/4842/MD_6036418703807907905774842.json
| null |
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PO_1229855662965551711833289
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| 2025-04-16T19:57:28
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.505095
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CO_1179994958994340010552302
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[
true,
true,
true
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HIr8NOPdPt7
|
HIr8NOPdPt7
|
A8B7CDEF
|
[
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77,
77,
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46,
77,
8,
1,
7
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| 6
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/7370/MD_9286621575141665788457370.json
| null |
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PO_6838953333416028610139620
|
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| 2025-04-16T20:08:41
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.875677
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CO_5050145593787815013041755
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5050145593787815013041755652829497021858392633151726874077311214971705202328605640899244510108985634669884702943543762347602711724463871544181046124916530
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[
true,
true,
true
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HFeNOPt11V4
|
FeHNOPt11V4
|
A11B4CDEF
|
[
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"V"
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[
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78,
78,
78,
78,
23,
78,
26,
23,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/3458/MD_6996613936834266105873458.json
| null |
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|
PO_1230766250794309360469322
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| 2025-04-16T18:35:06
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.174813
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CO_6085623782123426448102165
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[
true,
true,
true
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HCrNNi4OPt11
|
CrHNNi4OPt11
|
A11B4CDEF
|
[
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[
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28,
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24,
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8,
1,
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| 6
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/1149/MD_2259710309792207695911149.json
| null |
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|
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|
PO_6869797008582938408177950
|
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| 2025-04-16T21:14:40
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.127846
| null | null | null | null |
CO_4934314206594689872403266
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HCo8CrNOPt7
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Co8CrHNOPt7
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A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/7078/MD_7888796510927159507317078.json
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PO_6843494457482770963793613
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DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
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CO_1206603479366685367871286
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HNOPt7RuV8
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HNOPt7RuV8
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A8B7CDEF
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0
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/9249/MD_7600300935933443430119249.json
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PO_1236313245663415408658048
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|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.835995
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CO_5291428939709946492837548
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HFe9NOPt7
|
Fe9HNOPt7
|
A9B7CDE
|
[
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| 5
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[
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0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/6705/MD_6225828651455028372906705.json
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PO_1234247606752147646872211
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| 2025-04-16T17:11:08
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.627228
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CO_4919112736097275661836652
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true,
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true
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HCu8NOPt7Zn
|
Cu8HNOPt7Zn
|
A8B7CDEF
|
[
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8,
1,
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| 6
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|
[
0,
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0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2050/MD_8680417618995593182322050.json
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PO_1234287534434631408835674
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| 2025-04-16T22:03:29
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.342118
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CO_7689212043689480772418866
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true,
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true
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HCu8NOPt7Ru
|
Cu8HNOPt7Ru
|
A8B7CDEF
|
[
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44,
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| 6
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|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/5961/MD_3740069157672880722545961.json
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PO_1234224679173758032086975
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| 2025-04-16T17:32:32
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -6.030585
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CO_4169919719459693561353207
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true,
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true
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HCoNOPt7V8
|
CoHNOPt7V8
|
A8B7CDEF
|
[
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27,
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8,
1,
7
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| 6
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/8412/MD_1151913310248205365778412.json
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PO_1239103575591994424495791
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| 2025-04-16T19:03:57
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -2.731211
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CO_9628472466272980046434313
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true,
true,
true
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HAg9NOPt7
|
Ag9HNOPt7
|
A9B7CDE
|
[
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78,
47,
47,
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47,
47,
8,
1,
7
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| 5
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/7888/MD_1088257256598774573137888.json
| null |
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PO_1240171502131130244623468
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| 2025-04-16T20:25:42
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.54673
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CO_6868024366637161154712816
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[
true,
true,
true
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HCu8NOPdPt7
|
Cu8HNOPdPt7
|
A8B7CDEF
|
[
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78,
78,
29,
29,
78,
46,
29,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_8"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2680/MD_9163089009858986206832680.json
| null |
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|
PO_6936123529339112945193556
|
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| 2025-04-16T22:04:30
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.291545
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CO_1331496907510831531781438
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13314969075108315317814380729655181153733420135368557870153074246434010713761211381655465796387306939529207649805928629626458869468531841427902295235498900
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[
true,
true,
true
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HCuMn4NOPt11
|
CuHMn4NOPt11
|
A11B4CDEF
|
[
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[
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78,
78,
78,
78,
25,
78,
29,
25,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_278"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/4348/MD_3573960468868039628264348.json
| null |
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|
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|
PO_6944140410117391081734173
|
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| 2025-04-16T20:43:32
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.114572
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CO_7217011571092618669842490
|
7217011571092618669842490696383102780600643840216778501780102218229198644165484184394567688038779926142317193339468383323465830406652843257886504627075812
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[
true,
true,
true
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HNNiOPd8Pt7
|
HNNiOPd8Pt7
|
A8B7CDEF
|
[
"H",
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"O",
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[
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78,
78,
46,
46,
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28,
46,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_165"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/7570/MD_8144975192829395924217570.json
| null |
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|
{"input": {"ediffg": 0.05, "encut": {"value": 450, "units": "eV"}, "kpoints": "6 x 6 x 1", "kpoints-scheme": "Monkhorst-Pack"}, "hash": "4028144322349616297502239124301263663854446381285356334432667947702206429351758802912926798969881481295004074299236507316639485501574642685784644127582811", "id": "MD_4028144322349616297502239"}
|
PO_6966088699979240610702505
|
6966088699979240610702505069821217866398145636693871458570718034154539254477619723644545703603887318504499174954498412954036315178192068800845677375785640
| 2025-04-16T20:03:40
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.337497
| null | null | null | null |
CO_4682967745303848105640632
|
4682967745303848105640632935686928830864159028702055949097545886794333541363775823382899210868410495054436340097510696647385884853499575080126334979898599
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[
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[
true,
true,
true
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HAu4NNiOPt11
|
Au4HNNiOPt11
|
A11B4CDEF
|
[
"Au",
"H",
"N",
"Ni",
"O",
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[
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78,
78,
78,
78,
79,
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28,
79,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_242"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/3690/MD_2412845521969530418503690.json
| null |
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PO_1240436221013066110754368
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| 2025-04-16T16:04:40
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.184749
| null | null | null | null |
CO_1937846019037369889169668
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[
true,
true,
true
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HCu8FeNOPt7
|
Cu8FeHNOPt7
|
A8B7CDEF
|
[
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"H",
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[
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29,
29,
78,
78,
29,
29,
78,
26,
29,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_56"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/1952/MD_6895711510774748389791952.json
| null |
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PO_1245552972445805633196255
|
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| 2025-04-16T20:35:19
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.190943
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CO_5363198410909392011209439
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[
true,
true,
true
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HAu4NOPdPt11
|
Au4HNOPdPt11
|
A11B4CDEF
|
[
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"Pd",
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[
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79,
78,
78,
78,
78,
79,
78,
46,
79,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_282"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/9148/MD_1315947801385842200569148.json
| null |
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|
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|
PO_1250198170685168935487272
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| 2025-04-16T17:29:28
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.064673
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CO_5578956860907740410585836
|
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[
true,
true,
true
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HNOPt7Ru9
|
HNOPt7Ru9
|
A9B7CDE
|
[
"H",
"N",
"O",
"Pt",
"Ru"
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[
0.05263157894736842,
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0.05263157894736842,
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[
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78,
78,
44,
44,
78,
78,
44,
44,
78,
44,
44,
8,
1,
7
] | 19
| 5
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_201"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2138/MD_2048638223327415176122138.json
| null |
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|
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|
PO_1250120684778946020011249
|
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| 2025-04-17T17:35:57
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -2.888644
| null | null | null | null |
CO_8878568936509507861356124
|
8878568936509507861356124556275788015391501180812092266416745268411065880675113402715883232936647702311764837903517655219939380143862999553116635814379471
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[
true,
true,
true
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HAu4NOPt11Zn
|
Au4HNOPt11Zn
|
A11B4CDEF
|
[
"Au",
"H",
"N",
"O",
"Pt",
"Zn"
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[
0.21052631578947367,
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[
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78,
79,
78,
78,
78,
78,
79,
78,
30,
79,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_241"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2029/MD_9096051015436100540862029.json
| null |
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|
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|
PO_7049624409725532490302827
|
7049624409725532490302827916995074979474177885766641915816295231174770131233333579729686835410345691078917365863981236438839247217967096046535643643623045
| 2025-04-16T22:03:29
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.726981
| null | null | null | null |
CO_1736305264391989728429906
|
1736305264391989728429906486875403680740653968024183463317610379773821634996096928007946507074387083308131992658222260103692445065806974489119788431242049
|
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|
[
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0,
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[
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[
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HNNiOPt11V4
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HNNiOPt11V4
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A11B4CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/2501/MD_9644974347108445249192501.json
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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HNOPt7RhV8
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HNOPt7RhV8
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A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/1896/MD_3639638525242286757451896.json
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PO_1258968161443810457165319
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| 2025-04-16T18:05:35
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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CO_1207924252259470223158392
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HCu8NOPt7Rh
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Cu8HNOPt7Rh
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A8B7CDEF
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/0900/MD_1270417075927469469800900.json
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PO_7125967878362994405347277
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| 2025-04-16T16:09:58
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DS_ffsgl0wufoft_0
| 1
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VASP
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rPBE
| null |
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CO_5457393328285815235091896
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HCoNOPt11Rh4
|
CoHNOPt11Rh4
|
A11B4CDEF
|
[
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| 6
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/6226/MD_7334187503854116592466226.json
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PO_1264017831316003266567964
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| 2025-04-16T21:51:46
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
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CO_7807868591115971535438420
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HIrNOPt7Rh8
|
HIrNOPt7Rh8
|
A8B7CDEF
|
[
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| 6
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/7394/MD_8931751520284202886367394.json
| null |
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|
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PO_7184854755643597656845705
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| 2025-04-16T18:10:37
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.761287
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CO_1005493872116623100355411
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HMoNOPt7Rh8
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HMoNOPt7Rh8
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A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/0446/MD_2237382242830724994790446.json
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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CO_8935434658203606117226612
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HNOPt7RhRu8
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HNOPt7RhRu8
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A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/2527/MD_4859110238468419121352527.json
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PO_7199960222926854395808026
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| 2025-04-16T16:01:29
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DS_ffsgl0wufoft_0
| 1
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VASP
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rPBE
| null |
[] |
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CO_8786834688913559273171522
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HCrNNi8OPt7
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CrHNNi8OPt7
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A8B7CDEF
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[
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0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2715/MD_1073705326511886858872715.json
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PO_1268965069339908067858215
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| 2025-04-16T20:28:34
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.970694
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CO_6365137207592485850563508
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HCuIr4NOPt11
|
CuHIr4NOPt11
|
A11B4CDEF
|
[
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| 6
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|
[
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0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/3467/MD_2235006335907777661853467.json
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PO_1267635946199913008909957
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| 2025-04-16T17:25:54
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.409472
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CO_1314675901359478477697789
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true,
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true
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HMn4NOPt12
|
HMn4NOPt12
|
A12B4CDE
|
[
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[
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78,
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78,
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| 5
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|
[
0,
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0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/7637/MD_5487207268777689892327637.json
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|
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PO_7223579407420319721275201
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| 2025-04-16T17:18:49
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.775069
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CO_1051142863090279785935382
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HIr8NOPt7Rh
|
HIr8NOPt7Rh
|
A8B7CDEF
|
[
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| 6
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2331/MD_8164401677668356903992331.json
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PO_7259415716631582528255190
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| 2025-04-16T20:26:39
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.402704
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CO_3562544624835531462802820
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true,
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true
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HCu4NOPt11Rh
|
Cu4HNOPt11Rh
|
A11B4CDEF
|
[
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[
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45,
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8,
1,
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| 6
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/1487/MD_8242050643403405984201487.json
| null |
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PO_7264514273357631881478369
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| 2025-04-16T21:27:46
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.778074
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CO_1948012746778460596623042
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true
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HIr4NOPdPt11
|
HIr4NOPdPt11
|
A11B4CDEF
|
[
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| 6
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/6295/MD_6104674564658623735816295.json
| null |
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|
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PO_7267203118243608802245417
|
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| 2025-04-16T18:08:14
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.798954
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CO_7133443826402099528725174
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[
true,
true,
true
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HAu4NOPt11Rh
|
Au4HNOPt11Rh
|
A11B4CDEF
|
[
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"N",
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[
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78,
78,
79,
78,
45,
79,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_303"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/0653/MD_2569556865528733602810653.json
| null |
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|
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|
PO_1275298424611923632437957
|
12752984246119236324379573888834231548827744140524450465300306864922171897463264976321571218971794569241309201074674411799922907416693770722582398530480246
| 2025-04-16T17:45:49
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.055296
| null | null | null | null |
CO_2310913288241861251426387
|
2310913288241861251426387009133781444559819936751723191705721501756116803418396727612814695300163251496297706148499470328450341442767124475276866325016218
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] |
[
true,
true,
true
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HCu8NOPt7Ru
|
Cu8HNOPt7Ru
|
A8B7CDEF
|
[
"Cu",
"H",
"N",
"O",
"Pt",
"Ru"
] |
[
0.42105263157894735,
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78,
78,
29,
29,
78,
44,
29,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_32"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/0215/MD_9548122913496520281610215.json
| null |
{"id": "MD_9548122913496520281610215", "hash": "9548122913496520281610215369194005146362397063935633037317112796857756570261107075571738646298902257735653822474779292136274209382417496548994674483071811"}
|
{"input": {"ediffg": 0.05, "encut": {"value": 450, "units": "eV"}, "kpoints": "6 x 6 x 1", "kpoints-scheme": "Monkhorst-Pack"}, "hash": "4028144322349616297502239124301263663854446381285356334432667947702206429351758802912926798969881481295004074299236507316639485501574642685784644127582811", "id": "MD_4028144322349616297502239"}
|
PO_7280784984880774299702165
|
7280784984880774299702165458582046990129909028932746933134438721178102416313888589757836103587100798410007796580154316675127459969778901263886142609681726
| 2025-04-16T18:54:58
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.600412
| null | null | null | null |
CO_9296829525856604539902773
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[
true,
true,
true
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HNNiOPt7Tc8
|
HNNiOPt7Tc8
|
A8B7CDEF
|
[
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43,
43,
78,
28,
43,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_69"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2023/MD_1325914610456897787582023.json
| null |
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PO_1277672219634336790544454
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| 2025-04-16T19:05:56
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.618725
| null | null | null | null |
CO_2329575755286177968326717
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[
true,
true,
true
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HNOPt11Zn5
|
HNOPt11Zn5
|
A11B5CDE
|
[
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"N",
"O",
"Pt",
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[
0.05263157894736842,
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0.05263157894736842,
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78,
78,
78,
78,
30,
78,
30,
30,
8,
1,
7
] | 19
| 5
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_221"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/1263/MD_1320206468621050010511263.json
| null |
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PO_1285237173325400416295112
|
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| 2025-04-16T21:56:50
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.096204
| null | null | null | null |
CO_1336158108148512528649425
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[
true,
true,
true
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HNNiOPd4Pt11
|
HNNiOPd4Pt11
|
A11B4CDEF
|
[
"H",
"N",
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"O",
"Pd",
"Pt"
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[
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78,
78,
78,
46,
78,
28,
46,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_205"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/6583/MD_8088529854920703691746583.json
| null |
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|
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|
PO_1285588473456258715037393
|
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| 2025-04-16T21:09:01
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.809275
| null | null | null | null |
CO_4856251206474932901373593
|
4856251206474932901373593614121348961181067711579726892440391272737540584961273482044743577343345602092453393336048883904455819111842533244956786561589650
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[
true,
true,
true
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HMn4NOPt11Rh
|
HMn4NOPt11Rh
|
A11B4CDEF
|
[
"H",
"Mn",
"N",
"O",
"Pt",
"Rh"
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[
0.05263157894736842,
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0.5789473684210527,
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78,
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78,
78,
78,
78,
25,
78,
45,
25,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_235"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2111/MD_2590528331152874150092111.json
| null |
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|
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|
PO_1286274836891748958340599
|
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| 2025-04-16T16:09:21
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.860675
| null | null | null | null |
CO_5230738439947626945320385
|
5230738439947626945320385328616836687757482971135012412623128944703055946520472696553674504977248534546250674658254834340836993331082218166296999708050925
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] |
[
true,
true,
true
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HMo8NOPt7Ru
|
HMo8NOPt7Ru
|
A8B7CDEF
|
[
"H",
"Mo",
"N",
"O",
"Pt",
"Ru"
] |
[
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78,
42,
42,
78,
44,
42,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_54"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/8515/MD_8466052965556707425988515.json
| null |
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|
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|
PO_1289476534938148460978958
|
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| 2025-04-16T20:43:06
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.284876
| null | null | null | null |
CO_8645457853349949595788366
|
8645457853349949595788366628365468356640756309244941535553460240735282252200630887705675789588848371787208675618707724200007077087722457034663254000561519
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0
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[
true,
true,
true
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HCo8NOPt8
|
Co8HNOPt8
|
A8B8CDE
|
[
"Co",
"H",
"N",
"O",
"Pt"
] |
[
0.42105263157894735,
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.42105263157894735
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[
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78,
27,
27,
78,
78,
27,
27,
78,
78,
27,
27,
78,
78,
27,
8,
1,
7
] | 19
| 5
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_72"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/0863/MD_6186045745730570302530863.json
| null |
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|
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|
PO_1289590891706750979992858
|
12895908917067509799928582556420952465015365886271468410449116637805058409499067758240321646302225184544818295266405052154152923724481955574009508586573761
| 2025-04-16T21:09:01
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.936685
| null | null | null | null |
CO_1322613665688577343021964
|
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1.4078496013424162,
4.223548804027248,
22.122999999999998
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[
true,
true,
true
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HNOPd5Pt11
|
HNOPd5Pt11
|
A11B5CDE
|
[
"H",
"N",
"O",
"Pd",
"Pt"
] |
[
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.2631578947368421,
0.5789473684210527
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[
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78,
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46,
78,
78,
46,
78,
78,
78,
78,
46,
78,
46,
46,
8,
1,
7
] | 19
| 5
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_240"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/8807/MD_5179095930879904614068807.json
| null |
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|
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|
PO_7467169684691787756663464
|
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| 2025-04-16T19:57:19
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.370678
| null | null | null | null |
CO_1188494656568045957788867
|
11884946565680459577888674663767070294967879603115448753933985384032579103958408926678794938405715058975361317375438529405678949573179750449174042657006538
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0
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0
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[
0,
0,
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[
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15
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23.131722161385746
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[
1.38633258440155,
4.15899775320465,
22.031711028461245
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] |
[
true,
true,
true
] |
HMoNOOs8Pt7
|
HMoNOOs8Pt7
|
A8B7CDEF
|
[
"H",
"Mo",
"N",
"O",
"Os",
"Pt"
] |
[
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.42105263157894735,
0.3684210526315789
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[
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76,
76,
78,
78,
76,
76,
78,
78,
76,
76,
78,
42,
76,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_45"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/4149/MD_6671658827640008012244149.json
| null |
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|
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|
PO_1293334204914426869800425
|
12933342049144268698004254826911159691658331281381133351913282926144368767990096010407584463572528876109111709512427024184236464642796769584075260090972200
| 2025-04-16T21:29:37
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.459681
| null | null | null | null |
CO_3027364695170749024351502
|
3027364695170749024351502171861185074047945214109770274718466019729473252622198438460845828156347156247606248786602728122652441129697655881983514966875087
|
12627692744105876716340261595488517874294979150610731485202519839284297945428363462262958982949148895284075348707714394513962473960708343287146939002547630
|
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0
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0,
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0
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[
0,
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35.8815
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[
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23.1315111329245
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[
1.3862828445162265,
4.15884853354868,
22.0315
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] |
[
true,
true,
true
] |
HCu5NOPt11
|
Cu5HNOPt11
|
A11B5CDE
|
[
"Cu",
"H",
"N",
"O",
"Pt"
] |
[
0.2631578947368421,
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.5789473684210527
] |
[
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78,
78,
29,
78,
78,
29,
78,
78,
78,
78,
29,
78,
29,
29,
8,
1,
7
] | 19
| 5
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_229"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/9796/MD_1203606644252737011989796.json
| null |
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|
{"input": {"ediffg": 0.05, "encut": {"value": 450, "units": "eV"}, "kpoints": "6 x 6 x 1", "kpoints-scheme": "Monkhorst-Pack"}, "hash": "4028144322349616297502239124301263663854446381285356334432667947702206429351758802912926798969881481295004074299236507316639485501574642685784644127582811", "id": "MD_4028144322349616297502239"}
|
PO_7494886204910531747224674
|
7494886204910531747224674147223352395248636640707132682156029086766407584297626070453130229670161380210957400299505961536409125009606757017927538039511542
| 2025-04-16T16:57:14
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.04929
| null | null | null | null |
CO_1327049703376626193480873
|
13270497033766261934808736462921932567641426952080973662654422343133892640385380062814260623021916143164062996914719374374904400277713751486247402011132408
|
8063686650929059243322918645157221598472650037040828914578039836556200422697342595676327938253612594270345950775866851226117114170825786420296492975863703
|
[
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[
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[
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[
1.4078496013424162,
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22.122999999999998
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] |
[
true,
true,
true
] |
HFeNOPd4Pt11
|
FeHNOPd4Pt11
|
A11B4CDEF
|
[
"Fe",
"H",
"N",
"O",
"Pd",
"Pt"
] |
[
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.21052631578947367,
0.5789473684210527
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[
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46,
78,
78,
46,
78,
78,
78,
78,
46,
78,
26,
46,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_250"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/9919/MD_1175233199777725356699919.json
| null |
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|
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|
PO_7471233213271150761471024
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| 2025-04-16T18:14:48
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DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.303368
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CO_2625518745245588930430088
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HMn4NOPdPt11
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HMn4NOPdPt11
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A11B4CDEF
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[
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0
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/7795/MD_7653442153427145828627795.json
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PO_7480405510721413180005326
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| 2025-04-16T16:08:30
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.258292
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CO_7271814171273313875968082
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[
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HCoNOPt11Zn4
|
CoHNOPt11Zn4
|
A11B4CDEF
|
[
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78,
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27,
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1,
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| 6
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/4309/MD_7446000693672439758514309.json
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PO_1299288989609004370412656
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| 2025-04-16T17:45:47
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.659373
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CO_4247872487908848022705847
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[
true,
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HIr9NOPt7
|
HIr9NOPt7
|
A9B7CDE
|
[
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| 5
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/5748/MD_6401252983994049713955748.json
| null |
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PO_7551121206216596368128372
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| 2025-04-16T18:47:54
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.435394
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CO_7951056230066689704077342
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[
true,
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true
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HNOPt7RuW8
|
HNOPt7RuW8
|
A8B7CDEF
|
[
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[
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74,
74,
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44,
74,
8,
1,
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| 6
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/4715/MD_4775974042873982812804715.json
| null |
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PO_1304950706628720945223309
|
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| 2025-04-16T15:42:56
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.660085
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CO_9953588199002319231649630
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[
true,
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true
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HAuNOPt11Rh4
|
AuHNOPt11Rh4
|
A11B4CDEF
|
[
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79,
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1,
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| 6
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|
[
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0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/8672/MD_9406003901773871377818672.json
| null |
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PO_7610422111129849984266927
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| 2025-04-16T17:44:53
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.753609
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CO_7779688000845787861122466
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[
true,
true,
true
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HCoFe8NOPt7
|
CoFe8HNOPt7
|
A8B7CDEF
|
[
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"H",
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78,
78,
26,
26,
78,
27,
26,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_47"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/9398/MD_9028519799311441954029398.json
| null |
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PO_1306267092506812762798325
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| 2025-04-16T15:18:28
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.381927
| null | null | null | null |
CO_1170798100123313748269000
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[
true,
true,
true
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HNOPdPt11Ru4
|
HNOPdPt11Ru4
|
A11B4CDEF
|
[
"H",
"N",
"O",
"Pd",
"Pt",
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78,
78,
78,
78,
44,
78,
46,
44,
8,
1,
7
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| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_268"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/1416/MD_1162801388902417795771416.json
| null |
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PO_7600899221508586208011934
|
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| 2025-04-16T20:19:21
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.776738
| null | null | null | null |
CO_7535131866205201566541624
|
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[
true,
true,
true
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HFe4MoNOPt11
|
Fe4HMoNOPt11
|
A11B4CDEF
|
[
"Fe",
"H",
"Mo",
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"O",
"Pt"
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[
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78,
78,
78,
26,
78,
42,
26,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_261"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/5066/MD_8760501901878925370575066.json
| null |
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PO_1312601624958076445563557
|
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| 2025-04-16T19:00:21
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.269436
| null | null | null | null |
CO_5922649610220019682485866
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[
true,
true,
true
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HCuNOPt7Zn8
|
CuHNOPt7Zn8
|
A8B7CDEF
|
[
"Cu",
"H",
"N",
"O",
"Pt",
"Zn"
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[
0.05263157894736842,
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78,
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30,
78,
78,
30,
30,
78,
29,
30,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_143"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/3980/MD_1059413615039868749913980.json
| null |
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|
PO_7647341766416203279641584
|
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| 2025-04-16T16:08:23
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.576561
| null | null | null | null |
CO_1029213572137110795468352
|
10292135721371107954683529688676099072319020905411542864752443434070620281620233583022242654194711780994309868092613448456694675570530395160679947944718839
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] |
[
true,
true,
true
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HFe5NOPt11
|
Fe5HNOPt11
|
A11B5CDE
|
[
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"H",
"N",
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"Pt"
] |
[
0.2631578947368421,
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0.05263157894736842,
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78,
78,
78,
78,
26,
78,
26,
26,
8,
1,
7
] | 19
| 5
| 0
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/2135/MD_1253792206980140547302135.json
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PO_1313939920931422455403863
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| 2025-04-16T20:58:52
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
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CO_5590949201202485257983046
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HMn4NNiOPt11
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HMn4NNiOPt11
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A11B4CDEF
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[
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[
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0
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/1114/MD_1169779435741161950901114.json
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PO_1314392236469104410798524
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| 2025-04-17T18:16:17
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.381512
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CO_9022213546481964588267274
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HMoNOPt7Ru8
|
HMoNOPt7Ru8
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A8B7CDEF
|
[
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| 6
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|
[
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0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2703/MD_1011234827472703860482703.json
| null |
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PO_1314198246594182780831145
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| 2025-04-16T20:04:53
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.719084
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CO_5301620650249888535581868
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[
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true
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HFeNOPt7Rh8
|
FeHNOPt7Rh8
|
A8B7CDEF
|
[
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26,
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1,
7
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| 6
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2740/MD_3062883330479161059862740.json
| null |
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PO_7694628874010030466701073
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| 2025-04-16T21:14:40
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.557452
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CO_9039114346427782463464412
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[
true,
true,
true
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HNOPdPt7Rh8
|
HNOPdPt7Rh8
|
A8B7CDEF
|
[
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[
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45,
45,
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46,
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8,
1,
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| 6
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/9943/MD_3339825628468072674669943.json
| null |
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PO_7697765018476826949894476
|
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| 2025-04-16T17:29:28
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.162637
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CO_1654954093025659478440751
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[
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true
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HCuFe4NOPt11
|
CuFe4HNOPt11
|
A11B4CDEF
|
[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/3983/MD_1130342813301293641993983.json
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PO_7701097056735994909008038
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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CO_5372175552285819422669907
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HFeIr8NOPt7
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A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/9651/MD_2877817267857514101049651.json
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PO_7711827223548478177169165
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| 2025-04-16T17:54:49
|
DS_ffsgl0wufoft_0
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VASP
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rPBE
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[] |
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CO_6860484522174708282415799
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HNOPt12Ru4
|
HNOPt12Ru4
|
A12B4CDE
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[
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/7275/MD_1029620874460244301117275.json
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PO_1321838130180921595353771
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| 2025-04-16T18:22:53
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
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CO_5997539540966976120278230
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HFeNOPt7Tc8
|
FeHNOPt7Tc8
|
A8B7CDEF
|
[
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| 6
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[
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0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/6459/MD_8986677589491357189116459.json
| null |
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PO_1321931587471726556096518
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| 2025-04-16T20:46:05
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.717876
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CO_1069120965833729533586670
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[
true,
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true
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HNOPd8Pt7Ru
|
HNOPd8Pt7Ru
|
A8B7CDEF
|
[
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| 6
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/8481/MD_6780861604134268573628481.json
| null |
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PO_7749101529695875954471027
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| 2025-04-16T16:32:50
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.603144
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CO_2254240292119604524196373
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HCu4IrNOPt11
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Cu4HIrNOPt11
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A11B4CDEF
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/9579/MD_5516003995351707644589579.json
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PO_7763084487380569009269467
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DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
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CO_6274790294667860343126376
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HMoNOPt11Rh4
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HMoNOPt11Rh4
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A11B4CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/1224/MD_5052761058336940735501224.json
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PO_7814370360637972583532926
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| 2025-04-16T16:33:27
|
DS_ffsgl0wufoft_0
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VASP
|
rPBE
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[] |
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CO_3712127359710037650982478
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HAu8NOPt7Rh
|
Au8HNOPt7Rh
|
A8B7CDEF
|
[
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0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/9024/MD_1441674573878128639669024.json
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PO_7820635335246576346825274
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| 2025-04-16T20:31:48
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.649251
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CO_9739118091794425115256434
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HNNi8OPt7Rh
|
HNNi8OPt7Rh
|
A8B7CDEF
|
[
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45,
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| 6
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[
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2007/MD_8233698317789780297392007.json
| null |
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PO_1334206296372914189586846
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| 2025-04-16T18:26:42
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.947006
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CO_1073182869713402413832554
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true
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HNOPd8Pt7Zn
|
HNOPd8Pt7Zn
|
A8B7CDEF
|
[
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/8445/MD_2385804176373091444198445.json
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PO_1335066776704530305468580
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| 2025-04-16T20:16:22
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.944693
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CO_1136758828680655887025945
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HNOPt11Rh4Ru
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HNOPt11Rh4Ru
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A11B4CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/5551/MD_1569279464694527050025551.json
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PO_7918876416545524235917837
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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CO_6505610872460863427442304
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HIrNOOs8Pt7
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/5252/MD_1067211491252555526365252.json
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PO_7900524584587675895691457
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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CO_9147684743355197899525102
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HFeNOPt7Re8
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FeHNOPt7Re8
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A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/3162/MD_3616400386484402195603162.json
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PO_7934965399478254459052731
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| 2025-04-17T17:35:57
|
DS_ffsgl0wufoft_0
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VASP
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rPBE
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[] |
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CO_6891327610319475756079783
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HFe8NOPt8
|
Fe8HNOPt8
|
A8B8CDE
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[
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2642/MD_8799476639025408443192642.json
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PO_1367113469173461968420606
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| 2025-04-16T20:14:25
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
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[] |
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CO_9198042085939833047048663
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HMoNOPt7W8
|
HMoNOPt7W8
|
A8B7CDEF
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/8233/MD_1323652368390024039678233.json
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PO_1357662566908134955292489
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| 2025-04-16T20:14:25
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.933844
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CO_3027800500566065436934068
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true,
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true
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HCoMo8NOPt7
|
CoHMo8NOPt7
|
A8B7CDEF
|
[
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[
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78,
78,
42,
42,
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27,
42,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/5362/MD_5498086942754360938025362.json
| null |
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PO_7981716663251120820593747
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| 2025-04-16T16:31:52
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.218068
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CO_1320381346430546068132502
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[
true,
true,
true
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HCo8NOPt8
|
Co8HNOPt8
|
A8B8CDE
|
[
"Co",
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[
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0.05263157894736842,
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78,
27,
27,
78,
78,
27,
27,
78,
78,
27,
8,
1,
7
] | 19
| 5
| 0
|
[
0,
0,
0
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[
"tinnet_N_181"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/6811/MD_3302026691681475798776811.json
| null |
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|
PO_8023077678277972381542260
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| 2025-04-16T21:43:16
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.980612
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CO_6672651505092506249403108
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[
true,
true,
true
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HNOPt12Tc4
|
HNOPt12Tc4
|
A12B4CDE
|
[
"H",
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"O",
"Pt",
"Tc"
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[
0.05263157894736842,
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0.05263157894736842,
0.631578947368421,
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78,
43,
78,
78,
78,
78,
43,
78,
78,
43,
8,
1,
7
] | 19
| 5
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_213"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/3594/MD_5457893835512847666043594.json
| null |
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|
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PO_1433078517530639245580434
|
1433078517530639245580434715982218924679387405396186965286950325860214304510172429670920757957529114229649236885078539352430519427872898459374346261730784
| 2025-04-17T17:45:49
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.253181
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CO_6332463352501503681171231
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6332463352501503681171231690076655165448668573763394401955743053865401446694456185252287258188126618027654428973782819513873034448872875470424688612165791
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[
true,
true,
true
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HFe4NOPt12
|
Fe4HNOPt12
|
A12B4CDE
|
[
"Fe",
"H",
"N",
"O",
"Pt"
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[
0.21052631578947367,
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0.05263157894736842,
0.05263157894736842,
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[
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26,
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78,
26,
78,
78,
78,
78,
26,
78,
78,
26,
8,
1,
7
] | 19
| 5
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_238"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/0380/MD_6191345825069892165250380.json
| null |
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|
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|
PO_1464611261790064520045604
|
1464611261790064520045604524421214789430897214460829023117247989835526954813639918924096607453311113763453973878680634202993290167504308889358472819096109
| 2025-04-16T18:32:22
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.390287
| null | null | null | null |
CO_1124094007863801141327888
|
11240940078638011413278889676181147882659467869212849840340904333147713164236130646404961853725562429855708911994609138832428329721450835173336293146452613
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22.071999999999996
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[
true,
true,
true
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HNOPt11Ru5
|
HNOPt11Ru5
|
A11B5CDE
|
[
"H",
"N",
"O",
"Pt",
"Ru"
] |
[
0.05263157894736842,
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44,
78,
78,
78,
78,
44,
78,
44,
44,
8,
1,
7
] | 19
| 5
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_318"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/7522/MD_1227318992030404961867522.json
| null |
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|
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|
PO_8101240213126041152273701
|
8101240213126041152273701466341887273585272925688782572456526312513370281153430997667993371674981644167577000565103093126622593104306983406218937174816539
| 2025-04-17T17:45:49
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.245086
| null | null | null | null |
CO_4560476854850708655983245
|
4560476854850708655983245268316252627395380962063813606949142588483261931357185484632402232224438793902872396185137162002391558225653902569777659404757496
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[
1.3979501064058046,
4.193850319217414,
18.953999999999997
],
[
4.193850319217414,
4.193850319217414,
18.953999999999997
],
[
0,
0,
20.930999999999997
],
[
2.7959002128116093,
0,
20.930999999999997
],
[
0,
2.7959002128116093,
20.930999999999997
],
[
2.7959002128116093,
2.7959002128116093,
20.930999999999997
],
[
0.1,
1.4979501064058047,
22.430999999999997
],
[
0.7293340650157999,
1.4979501064058047,
23.181011132924496
],
[
1.3979501064058046,
4.193850319217414,
22.080999999999996
]
] |
[
true,
true,
true
] |
HFeNOPt11Zn4
|
FeHNOPt11Zn4
|
A11B4CDEF
|
[
"Fe",
"H",
"N",
"O",
"Pt",
"Zn"
] |
[
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.5789473684210527,
0.21052631578947367
] |
[
78,
78,
78,
78,
30,
78,
78,
30,
78,
78,
78,
78,
30,
78,
26,
30,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_236"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/4677/MD_1756841064510924669634677.json
| null |
{"id": "MD_1756841064510924669634677", "hash": "1756841064510924669634677395197413745246362485869500714937014559608016962018439380428695714167736324025973629957059489621556626746565646982076828181284745"}
|
{"input": {"ediffg": 0.05, "encut": {"value": 450, "units": "eV"}, "kpoints": "6 x 6 x 1", "kpoints-scheme": "Monkhorst-Pack"}, "hash": "4028144322349616297502239124301263663854446381285356334432667947702206429351758802912926798969881481295004074299236507316639485501574642685784644127582811", "id": "MD_4028144322349616297502239"}
|
PO_1492464550591782624554370
|
1492464550591782624554370164559079491277904321455617480445043993355000587815546095040010403147254335725694001854156081145884420815061768577310980319727665
| 2025-04-16T21:13:01
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.784135
| null | null | null | null |
CO_2909557672373918319195703
|
29095576723739183191957037403965744569383789008361997061538770466447291462546387422240227494415853035250176683376013866134862657879906178205164453666637
|
3710719706904703395510708722565422449120412688941264915293904061413161773880660706243691390972983194337125401449014023779653808360739456499430902718857653
|
[
[
5.58331514424898,
0,
0
],
[
0,
5.58331514424898,
0
],
[
0,
0,
35.922
]
] |
[
[
1.395828786062245,
1.395828786062245,
14.999999999999998
],
[
4.187486358186735,
1.395828786062245,
14.999999999999998
],
[
1.395828786062245,
4.187486358186735,
14.999999999999998
],
[
4.187486358186735,
4.187486358186735,
14.999999999999998
],
[
0,
0,
16.973999999999997
],
[
2.79165757212449,
0,
16.973999999999997
],
[
0,
2.79165757212449,
16.973999999999997
],
[
2.79165757212449,
2.79165757212449,
16.973999999999997
],
[
1.395828786062245,
1.395828786062245,
18.947999999999997
],
[
4.187486358186735,
1.395828786062245,
18.947999999999997
],
[
1.395828786062245,
4.187486358186735,
18.947999999999997
],
[
4.187486358186735,
4.187486358186735,
18.947999999999997
],
[
0,
0,
20.921999999999997
],
[
2.79165757212449,
0,
20.921999999999997
],
[
0,
2.79165757212449,
20.921999999999997
],
[
2.79165757212449,
2.79165757212449,
20.921999999999997
],
[
0.1,
1.495828786062245,
22.421999999999997
],
[
0.7293340650157999,
1.495828786062245,
23.172011132924496
],
[
1.395828786062245,
4.187486358186735,
22.071999999999996
]
] |
[
true,
true,
true
] |
HNOPt11Ru4Zn
|
HNOPt11Ru4Zn
|
A11B4CDEF
|
[
"H",
"N",
"O",
"Pt",
"Ru",
"Zn"
] |
[
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.5789473684210527,
0.21052631578947367,
0.05263157894736842
] |
[
78,
78,
78,
78,
44,
78,
78,
44,
78,
78,
78,
78,
44,
78,
30,
44,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_308"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/3280/MD_9018226157436686656753280.json
| null |
{"id": "MD_9018226157436686656753280", "hash": "9018226157436686656753280192658268324544297281190258742750678072948400589241490859529556211589991832284705594792365202540361337173273788034608205760202698"}
|
{"input": {"ediffg": 0.05, "encut": {"value": 450, "units": "eV"}, "kpoints": "6 x 6 x 1", "kpoints-scheme": "Monkhorst-Pack"}, "hash": "4028144322349616297502239124301263663854446381285356334432667947702206429351758802912926798969881481295004074299236507316639485501574642685784644127582811", "id": "MD_4028144322349616297502239"}
|
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