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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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data/MD/7149/MD_1329232964328200880537149.json
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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HMn8NOPt7Zn
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HMn8NOPt7Zn
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data/MD/1886/MD_9628454603053590227851886.json
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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CO_1218283273655584348294429
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HNNiOPt7Zn8
|
HNNiOPt7Zn8
|
A8B7CDEF
|
[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/7006/MD_3656978719598626211447006.json
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PO_4950623151976017338630930
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|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
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CO_7486307693938793015873436
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HIr8NOPt7Zn
|
HIr8NOPt7Zn
|
A8B7CDEF
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30,
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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/0104/MD_1044806934351958926300104.json
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PO_1006871977099597877212467
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| 2025-04-16T19:01:02
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DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.040253
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CO_7645001141610179767183780
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HCoNOPt7Zn8
|
CoHNOPt7Zn8
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A8B7CDEF
|
[
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30,
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27,
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8,
1,
7
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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/1937/MD_3081020630974615514881937.json
| null |
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PO_1009789984701563349003130
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| 2025-04-16T16:24:36
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.643518
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CO_3164263444807522621791002
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[
true,
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true
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HFe8IrNOPt7
|
Fe8HIrNOPt7
|
A8B7CDEF
|
[
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26,
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77,
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8,
1,
7
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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/4485/MD_1341473952847159594304485.json
| null |
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PO_4479073116074547713820640
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| 2025-04-16T15:45:08
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.624116
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CO_9156579056603471469017978
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[
true,
true,
true
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HIr8NOPdPt7
|
HIr8NOPdPt7
|
A8B7CDEF
|
[
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78,
77,
77,
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46,
77,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_101"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/1540/MD_5188223808080581785221540.json
| null |
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|
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PO_4543239111922150714075110
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| 2025-04-16T21:27:46
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.998982
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CO_5909227782152142443622766
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[
true,
true,
true
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HCuNOPd8Pt7
|
CuHNOPd8Pt7
|
A8B7CDEF
|
[
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[
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78,
78,
46,
46,
78,
29,
46,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_75"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/6458/MD_1023731881447237168016458.json
| null |
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|
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|
PO_4548971231226068487227688
|
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| 2025-04-16T16:29:44
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.12544
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CO_4391602945784920327681622
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439160294578492032768162284378414639954703095237384080434534860919615042256096490922597153017715380335542182426954379005661744313379824043872103425860050
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HNNi8OPt7Ru
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HNNi8OPt7Ru
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A8B7CDEF
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[
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/4760/MD_1161640013005258091254760.json
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PO_1054117909847194889531129
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DS_ffsgl0wufoft_0
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VASP
|
rPBE
| null |
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CO_1030112634043939237249330
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HIrNOPt11Zn4
|
HIrNOPt11Zn4
|
A11B4CDEF
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[
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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/2023/MD_1949043232432003011082023.json
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PO_4592456374170171425019978
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| 2025-04-16T21:43:25
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.904376
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CO_1071258912381205061835544
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HCu8NOPt8
|
Cu8HNOPt8
|
A8B8CDE
|
[
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29,
29,
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7
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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
|
data/MD/2958/MD_8603736990229793864332958.json
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PO_4576647441313256974928284
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| 2025-04-16T17:45:47
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.898589
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CO_1117855428910698356509991
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HNOPt11Rh4Zn
|
HNOPt11Rh4Zn
|
A11B4CDEF
|
[
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78,
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30,
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1,
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| 6
| 0
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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/1628/MD_9147103838198386307451628.json
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PO_1057505232616211859124449
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| 2025-04-16T18:52:13
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.06444
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CO_1113356401337122470257702
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[
true,
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true
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HNNiOPt11Zn4
|
HNNiOPt11Zn4
|
A11B4CDEF
|
[
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28,
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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/3135/MD_1317431718762628382443135.json
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PO_1059633121872048851261031
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| 2025-04-16T17:47:45
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.942776
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CO_6830404483613294149317957
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true,
true,
true
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HFeIr4NOPt11
|
FeHIr4NOPt11
|
A11B4CDEF
|
[
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"Ir",
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78,
77,
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26,
77,
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/9790/MD_3865415804005922452779790.json
| null |
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PO_4672130687788320149315990
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| 2025-04-16T17:55:11
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.430682
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CO_1120101365824012862793005
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true,
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true
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HFe4NNiOPt11
|
Fe4HNNiOPt11
|
A11B4CDEF
|
[
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78,
78,
26,
78,
28,
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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/2609/MD_2013422228434883325402609.json
| null |
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PO_1061828331346616718659185
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| 2025-04-16T15:14:08
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.71441
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CO_6163282290183976513192010
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[
true,
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HCuIr8NOPt7
|
CuHIr8NOPt7
|
A8B7CDEF
|
[
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[
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77,
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29,
77,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_138"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/0755/MD_6080511706245923444320755.json
| null |
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|
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PO_4687269579871316957326461
|
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| 2025-04-16T21:27:46
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.488895
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CO_2268829733898637084037147
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22
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[
true,
true,
true
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HNNi5OPt11
|
HNNi5OPt11
|
A11B5CDE
|
[
"H",
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"Pt"
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[
0.05263157894736842,
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0.2631578947368421,
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78,
78,
78,
28,
78,
28,
28,
8,
1,
7
] | 19
| 5
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_301"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/5350/MD_1322327560121075083555350.json
| null |
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|
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|
PO_4688914963787073673854958
|
4688914963787073673854958298227746623212275336144800902192211831012320079685914360152672557956298380189723693221704737460093831239101968293608390676669992
| 2025-04-16T21:13:01
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.440474
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CO_1283578202503143189845473
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12835782025031431898454735622787037376155108706514080673217413309553869362483581728860387072980461032611394352521844581281565611607902075593341628618049439
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[
true,
true,
true
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HNOPt8Rh8
|
HNOPt8Rh8
|
A8B8CDE
|
[
"H",
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[
0.05263157894736842,
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78,
45,
45,
78,
78,
45,
8,
1,
7
] | 19
| 5
| 0
|
[
0,
0,
0
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[
"tinnet_N_187"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/8813/MD_9757863239647704009008813.json
| null |
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|
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|
PO_1021890577595215625395190
|
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| 2025-04-17T18:16:17
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.474334
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CO_9708466420848611875572279
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HNOPt7Ru8Zn
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HNOPt7Ru8Zn
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A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/6539/MD_3072271414421591953036539.json
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PO_1062389268096264123149677
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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CO_8736246773432933822431276
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HIr8NOPt7Zn
|
HIr8NOPt7Zn
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A8B7CDEF
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[
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/6456/MD_8132274520725063257926456.json
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PO_4745919192007590482623116
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| 2025-04-16T17:45:43
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
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CO_8015354957384041674686251
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HFe8NOPt7Rh
|
Fe8HNOPt7Rh
|
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/2732/MD_1885669329656030161412732.json
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PO_1066263621710366364773025
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| 2025-04-16T16:05:15
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.16228
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CO_9047168074493618905464038
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[
true,
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true
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HCrNOPt7Ru8
|
CrHNOPt7Ru8
|
A8B7CDEF
|
[
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[
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78,
44,
44,
78,
24,
44,
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/4190/MD_6325544898529119304914190.json
| null |
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PO_1024689683577383895335902
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| 2025-04-16T19:57:36
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.638093
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CO_8713144461659854716142338
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[
true,
true,
true
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HCrNOOs8Pt7
|
CrHNOOs8Pt7
|
A8B7CDEF
|
[
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"H",
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[
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76,
76,
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24,
76,
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/0267/MD_5950062679705021876480267.json
| null |
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|
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PO_1068989875107727364126850
|
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| 2025-04-16T17:54:49
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.843281
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CO_9012041042315227042839081
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[
true,
true,
true
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HFe8IrNOPt7
|
Fe8HIrNOPt7
|
A8B7CDEF
|
[
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[
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77,
26,
8,
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7
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| 6
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/3680/MD_1091179242934503146053680.json
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PO_1027028770963396714744891
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| 2025-04-16T18:47:35
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.816888
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CO_1030674750383862765059186
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[
true,
true,
true
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HFe4IrNOPt11
|
Fe4HIrNOPt11
|
A11B4CDEF
|
[
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[
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78,
78,
78,
78,
26,
78,
77,
26,
8,
1,
7
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| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_274"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/3352/MD_1049121202473296090843352.json
| null |
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PO_1073003821908641479844172
|
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| 2025-04-16T16:07:30
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.502241
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CO_7546610456566454917836089
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[
true,
true,
true
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HCo8NOPt7Zn
|
Co8HNOPt7Zn
|
A8B7CDEF
|
[
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"N",
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[
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78,
78,
27,
27,
78,
30,
27,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_156"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/0448/MD_2483458986602188454600448.json
| null |
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|
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|
PO_5055332810432029580815805
|
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| 2025-04-16T21:30:02
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.841382
| null | null | null | null |
CO_4508683183146574761468000
|
4508683183146574761468000796656790575000474202683959179877389321167608881331079653179026006964990053105503166189016937851697119509731757513097872111764856
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[
true,
true,
true
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HCuIr8NOPt7
|
CuHIr8NOPt7
|
A8B7CDEF
|
[
"Cu",
"H",
"Ir",
"N",
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"Pt"
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[
0.05263157894736842,
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78,
77,
77,
78,
78,
77,
77,
78,
29,
77,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_95"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/5081/MD_9231086128878289380765081.json
| null |
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|
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|
PO_5056740953977016497983265
|
5056740953977016497983265578185327761277107042189293543597415036365367067443143717943086124561381494824399000308705650001501976872349738257340101837205887
| 2025-04-16T21:12:41
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.310497
| null | null | null | null |
CO_9840248618062985278826351
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9840248618062985278826351055480851058135570777635607279962138948495845067402523680297518311864780976561243057854270906539375376498050086665631369752601470
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22
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[
true,
true,
true
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HNNi4OPt11Zn
|
HNNi4OPt11Zn
|
A11B4CDEF
|
[
"H",
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"Ni",
"O",
"Pt",
"Zn"
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[
0.05263157894736842,
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28,
78,
78,
78,
78,
28,
78,
30,
28,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_298"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/6444/MD_1991501442394078137326444.json
| null |
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|
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|
PO_1072179390139388557232396
|
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| 2025-04-16T21:37:22
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.737256
| null | null | null | null |
CO_1066092064664818517562899
|
10660920646648185175628996714793299605546528222324595423559948599752693005839966362803069307882848972763725753111659042022096688183627899188449306484896638
|
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HFeNOPt7Rh8
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FeHNOPt7Rh8
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A8B7CDEF
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[
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| 6
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|
[
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/8488/MD_1162165376158224952148488.json
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PO_5059110319803397050853477
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| 2025-04-16T21:43:16
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.493312
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CO_1193020358046028348248469
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HNOOs4Pt12
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HNOOs4Pt12
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A12B4CDE
|
[
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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
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data/MD/0898/MD_6118598214088908425410898.json
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PO_1074311909288156898216028
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| 2025-04-17T18:26:41
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -6.068987
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CO_1830255572820651140974912
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true,
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true
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HMoNNb4OPt11
|
HMoNNb4OPt11
|
A11B4CDEF
|
[
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41,
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42,
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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/6416/MD_2732024976034576862806416.json
| null |
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PO_1080671817792360208267369
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| 2025-04-16T17:26:47
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.86627
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CO_6828093679672358792410034
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[
true,
true,
true
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HCrIr8NOPt7
|
CrHIr8NOPt7
|
A8B7CDEF
|
[
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[
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77,
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24,
77,
8,
1,
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| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_174"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/4293/MD_5342020973937007486784293.json
| null |
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|
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|
PO_1080542151917124521489828
|
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| 2025-04-16T20:30:11
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.590244
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CO_5058328040665218726407976
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[
true,
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true
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HCuNOPt7Zn8
|
CuHNOPt7Zn8
|
A8B7CDEF
|
[
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[
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30,
30,
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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/4791/MD_2390088910645725686504791.json
| null |
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|
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|
PO_5176631779336320066132099
|
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| 2025-04-16T17:26:48
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.364669
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CO_7623989829941995097111564
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HCuNOPt7Ru8
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CuHNOPt7Ru8
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A8B7CDEF
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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/3447/MD_7093155153271628461823447.json
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PO_1031386168401800233445278
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|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.292058
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CO_1027292674938554030441945
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true,
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true
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HAu4NOPt12
|
Au4HNOPt12
|
A12B4CDE
|
[
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| 5
| 0
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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/4015/MD_1137491013790443716344015.json
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PO_1032962044957166763072621
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| 2025-04-16T16:03:51
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.560058
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CO_1132817633075346790958872
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true,
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true
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HCr8IrNOPt7
|
Cr8HIrNOPt7
|
A8B7CDEF
|
[
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24,
24,
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77,
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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/4876/MD_7948373625667978117384876.json
| null |
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PO_1086391530700780171386167
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| 2025-04-16T21:43:16
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -6.078709
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CO_5864933690950185003677605
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[
true,
true,
true
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HNOPt7RuW8
|
HNOPt7RuW8
|
A8B7CDEF
|
[
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78,
78,
74,
74,
78,
44,
74,
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/5633/MD_4078024821227466287025633.json
| null |
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|
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PO_1035815477266849676785347
|
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| 2025-04-16T19:01:02
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.059332
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CO_1004403101620748079573401
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[
true,
true,
true
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HFeNOPt7Zn8
|
FeHNOPt7Zn8
|
A8B7CDEF
|
[
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78,
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30,
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26,
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8,
1,
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] | 19
| 6
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2501/MD_3813076368130489590562501.json
| null |
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|
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PO_5324731112979742774902508
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| 2025-04-16T18:49:27
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.366439
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CO_1226341199766914188087107
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12263411997669141880871074972731732706018692479291931671153563912860838637408395524863218501396081927643593550584403725086070936982434533984677419591792843
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HCoNOPt7Ru8
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CoHNOPt7Ru8
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A8B7CDEF
|
[
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0,
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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/2756/MD_8874868180063893097252756.json
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PO_5328603200810206629126636
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DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
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CO_1008471478429516507195486
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true
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HCu8FeNOPt7
|
Cu8FeHNOPt7
|
A8B7CDEF
|
[
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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/3569/MD_9258670192260182531233569.json
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PO_5338934321415714619479181
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| 2025-04-16T18:04:13
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.115375
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CO_8205219113533591197769713
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true,
true,
true
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HAg4NOPt11Rh
|
Ag4HNOPt11Rh
|
A11B4CDEF
|
[
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78,
47,
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45,
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8,
1,
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| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_233"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2746/MD_7443630911640352508462746.json
| null |
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PO_1095807557808288424899373
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| 2025-04-16T16:07:38
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.22012
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CO_1033106286887542937150861
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[
true,
true,
true
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HNNi8OPt7Zn
|
HNNi8OPt7Zn
|
A8B7CDEF
|
[
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[
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78,
28,
28,
78,
30,
28,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_40"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2599/MD_2206184421253328657752599.json
| null |
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PO_1039060444052284611649625
|
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| 2025-04-16T18:22:24
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.691072
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CO_8915464991263237584841061
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[
true,
true,
true
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HFe4NOPt11Rh
|
Fe4HNOPt11Rh
|
A11B4CDEF
|
[
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[
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78,
78,
78,
26,
78,
45,
26,
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/7648/MD_8444927873760709934287648.json
| null |
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|
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|
PO_5365807331319770173673050
|
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| 2025-04-16T18:44:52
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.403969
| null | null | null | null |
CO_7828941005350155478360613
|
7828941005350155478360613835144054537530932873144565026796344547710054491721449609345523283424950268365585415034972548482599937761322684298824122660238088
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HCu8NOPt7Rh
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Cu8HNOPt7Rh
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A8B7CDEF
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[
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/7852/MD_3346931947399191573877852.json
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PO_1039487631829109701156873
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DS_ffsgl0wufoft_0
| 1
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VASP
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rPBE
| null |
[] |
[] | null | null | null | null | -5.311269
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CO_4709363209670724950048305
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HFeNOPt7Ru8
|
FeHNOPt7Ru8
|
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/9635/MD_2992831215050316758269635.json
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PO_5407446352276400111232300
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| 2025-04-16T18:32:22
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -6.035769
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CO_4135368931186704588186411
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HFeMo8NOPt7
|
FeHMo8NOPt7
|
A8B7CDEF
|
[
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42,
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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/4389/MD_4787588740644308103834389.json
| null |
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PO_1041014330671178300676143
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| 2025-04-16T17:08:48
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -2.856401
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CO_1853577311483206212452796
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[
true,
true,
true
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HAu4CuNOPt11
|
Au4CuHNOPt11
|
A11B4CDEF
|
[
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[
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78,
79,
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29,
79,
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1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/1742/MD_8409272184843931952641742.json
| null |
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PO_1099366214409886476702111
|
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| 2025-04-16T21:13:40
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.28679
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CO_1275597195115610052746037
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[
true,
true,
true
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HCoNOPt7Zn8
|
CoHNOPt7Zn8
|
A8B7CDEF
|
[
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[
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78,
30,
30,
78,
27,
30,
8,
1,
7
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| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_16"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/4892/MD_4471196719479983100674892.json
| null |
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|
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|
PO_5454211291444767902470434
|
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| 2025-04-16T20:58:52
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.5212
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CO_2451874445098007110222112
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HFeNNi8OPt7
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A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/8087/MD_6321170235687950323108087.json
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PO_5466012078767932349810861
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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CO_1287968880103133210630288
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HAg8NOPdPt7
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Ag8HNOPdPt7
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A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/5117/MD_1121424281707714324635117.json
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PO_1100131729722291160609938
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| 2025-04-16T15:42:34
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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CO_6462051634999630960775662
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HCoNOPt7Rh8
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CoHNOPt7Rh8
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A8B7CDEF
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/1622/MD_1256936305553229095331622.json
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PO_5479293417276156474791797
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| 2025-04-16T17:20:02
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DS_ffsgl0wufoft_0
| 1
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VASP
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rPBE
| null |
[] |
[] | null | null | null | null | -4.150637
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CO_5984707495231654714559699
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HCoNOPd8Pt7
|
CoHNOPd8Pt7
|
A8B7CDEF
|
[
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| 6
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0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/7920/MD_3058246712097517916637920.json
| null |
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PO_5532037148888455478884033
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| 2025-04-16T18:12:40
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.954454
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CO_1289523994336817544188129
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HIrMn4NOPt11
|
HIrMn4NOPt11
|
A11B4CDEF
|
[
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| 6
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0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/0651/MD_7263217937593158708540651.json
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PO_1104615045372197685061116
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DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.684509
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CO_3432787073814354537809327
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HIr8MoNOPt7
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HIr8MoNOPt7
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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/5841/MD_5928746960909175974915841.json
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PO_5615885018870120566305260
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| 2025-04-16T17:44:41
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DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
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CO_3499986461006677774180279
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HIr8NOPt7Ru
|
HIr8NOPt7Ru
|
A8B7CDEF
|
[
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44,
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/3784/MD_9789423003202560766843784.json
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PO_5591941034279903105215841
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| 2025-04-16T21:22:14
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DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.74316
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CO_9581145204250402801674456
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HNOPt8Zn8
|
HNOPt8Zn8
|
A8B8CDE
|
[
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| 5
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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/9220/MD_1004791208419832686279220.json
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PO_1114844860542557672985562
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| 2025-04-16T18:57:04
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.144494
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CO_1278469025480937901774859
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true
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HCo4CrNOPt11
|
Co4CrHNOPt11
|
A11B4CDEF
|
[
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[
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27,
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24,
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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/1357/MD_6183811318079161000951357.json
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PO_1111715327319769178481687
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| 2025-04-16T15:44:14
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.81935
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CO_1182813256110261608263112
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true
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HNOPt12Zn4
|
HNOPt12Zn4
|
A12B4CDE
|
[
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| 5
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|
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/7931/MD_2027499027461809211397931.json
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PO_5673429603379362122372364
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| 2025-04-16T20:58:52
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.40079
| null | null | null | null |
CO_1338559553349887640249459
|
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[
true,
true,
true
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HIrNOPd8Pt7
|
HIrNOPd8Pt7
|
A8B7CDEF
|
[
"H",
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"N",
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"Pd",
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[
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0.42105263157894735,
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78,
78,
46,
46,
78,
77,
46,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_171"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2628/MD_6531194332642952497082628.json
| null |
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PO_1116759777130176930519294
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| 2025-04-16T18:53:17
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.312078
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CO_4676674905288115938452116
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22.012
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[
true,
true,
true
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HCo4NOPt12
|
Co4HNOPt12
|
A12B4CDE
|
[
"Co",
"H",
"N",
"O",
"Pt"
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[
0.21052631578947367,
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
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27,
78,
78,
27,
78,
78,
78,
78,
27,
78,
78,
27,
8,
1,
7
] | 19
| 5
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_304"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/5130/MD_1220388010415847004325130.json
| null |
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|
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|
PO_5719977814807440175042839
|
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| 2025-04-17T17:56:16
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.924919
| null | null | null | null |
CO_1082500865231499487366745
|
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22.122999999999998
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[
true,
true,
true
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HCuNOPd4Pt11
|
CuHNOPd4Pt11
|
A11B4CDEF
|
[
"Cu",
"H",
"N",
"O",
"Pd",
"Pt"
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[
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.21052631578947367,
0.5789473684210527
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[
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78,
46,
78,
78,
46,
78,
78,
78,
78,
46,
78,
29,
46,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_294"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/7002/MD_1080051205415885093317002.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_5714471091042445742738201
|
571447109104244574273820102236916988009427370480035226850060889543405756298531471793341795465736522197318394643872618706893658674663095882461191395254271
| 2025-04-16T19:56:50
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.926015
| null | null | null | null |
CO_4097168300238525781672660
|
4097168300238525781672660690649805703026966224065192106222000899555367825845976728772902833878660867547553605497312713279959181461554290492574910081467975
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[
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1.4078496013424162,
4.223548804027248,
22.122999999999998
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] |
[
true,
true,
true
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HNOPd4Pt11Zn
|
HNOPd4Pt11Zn
|
A11B4CDEF
|
[
"H",
"N",
"O",
"Pd",
"Pt",
"Zn"
] |
[
0.05263157894736842,
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0.21052631578947367,
0.5789473684210527,
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[
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46,
78,
78,
46,
78,
78,
78,
78,
46,
78,
30,
46,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_317"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/7411/MD_8370619563021074491367411.json
| null |
{"id": "MD_8370619563021074491367411", "hash": "8370619563021074491367411258567999282292117201935235433335696198359082369342457451687363360015857214578384177259865364200547297070436102895280978336735373"}
|
{"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_5724163227322319487294312
|
5724163227322319487294312261655526577906726383795817553541908707220507666670418090755656988734242921861739702523680764458100854496373208839495803328807191
| 2025-04-16T16:54:34
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.8121
| null | null | null | null |
CO_1269667598832559163010172
|
1269667598832559163010172236489621718841521335537054384925543637641063304762836978837740002087083138677920452199358092853785337233734419056689234445554857
|
4516270861695490349726562788024339835789888101698747407035171853794843985868154707379625454546159089827608028313887203286277968748242659393863430782118834
|
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0,
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0
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[
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[
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1.3921268178508135,
4.17638045355244,
22.056293879043757
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] |
[
true,
true,
true
] |
HFeIr8NOPt7
|
FeHIr8NOPt7
|
A8B7CDEF
|
[
"Fe",
"H",
"Ir",
"N",
"O",
"Pt"
] |
[
0.05263157894736842,
0.05263157894736842,
0.42105263157894735,
0.05263157894736842,
0.05263157894736842,
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[
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77,
78,
78,
77,
77,
78,
78,
77,
77,
78,
26,
77,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/5518/MD_1100993294872279194195518.json
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PO_5726341078404795822602080
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DS_ffsgl0wufoft_0
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VASP
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rPBE
| null |
[] |
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CO_2378842757594943006619341
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HIrNNi4OPt11
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HIrNNi4OPt11
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A11B4CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/7781/MD_8523477178850542408517781.json
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PO_5727007050020319644168721
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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CO_1086939830991757148878570
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HCo8MoNOPt7
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Co8HMoNOPt7
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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/0365/MD_3297398988793041680060365.json
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PO_5771869712706258131036852
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DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
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CO_9938249834809247439606300
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HCuFe8NOPt7
|
CuFe8HNOPt7
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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/8737/MD_6697949826265059604908737.json
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PO_5819402005487949398406183
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| 2025-04-16T19:57:36
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
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CO_6435774290239700564083420
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HAu8NOPt8
|
Au8HNOPt8
|
A8B8CDE
|
[
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/0404/MD_9043382656809371294730404.json
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PO_5839852747295719648036823
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| 2025-04-16T17:07:03
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.844882
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CO_4784571721750343074573877
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HNOPt8Ru8
|
HNOPt8Ru8
|
A8B8CDE
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[
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7
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| 5
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/2806/MD_7212781397353228252192806.json
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PO_1131456327728522830888014
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| 2025-04-16T18:30:08
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DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.420881
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CO_1218672947404863542153938
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HIr8NOPt8
|
HIr8NOPt8
|
A8B8CDE
|
[
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77,
78,
78,
77,
77,
78,
78,
77,
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/0319/MD_1338489539153628556780319.json
| null |
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PO_5901327740558395692107764
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| 2025-04-16T21:51:00
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.613055
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CO_1271031882909328765625377
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[
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true
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HCuNOPt11Ru4
|
CuHNOPt11Ru4
|
A11B4CDEF
|
[
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78,
78,
78,
78,
44,
78,
29,
44,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_291"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/7363/MD_6980959908216435167077363.json
| null |
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PO_5936907154162366452503773
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| 2025-04-17T18:06:06
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.704044
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CO_1046805911393170885638338
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[
true,
true,
true
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HCo4FeNOPt11
|
Co4FeHNOPt11
|
A11B4CDEF
|
[
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[
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27,
78,
78,
78,
78,
27,
78,
26,
27,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_324"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2052/MD_1097902121659984708482052.json
| null |
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|
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|
PO_1143309568456198759138115
|
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| 2025-04-16T16:08:40
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.014977
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CO_4742561727052574434545600
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[
true,
true,
true
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HAuCu8NOPt7
|
AuCu8HNOPt7
|
A8B7CDEF
|
[
"Au",
"Cu",
"H",
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"Pt"
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[
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29,
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78,
78,
29,
29,
78,
79,
29,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_109"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/5686/MD_1209464583726279184595686.json
| null |
{"id": "MD_1209464583726279184595686", "hash": "12094645837262791845956860723637521049708671916083686341329119296885166218769704894550322674405288976866421782785525251537857077981902366209225076477093083"}
|
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|
PO_1141626394186302869872829
|
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| 2025-04-16T17:17:12
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.185054
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CO_4323004520396285320922259
|
4323004520396285320922259908629284587932297312237883801133220600740906076034308785797027294027706404155257861893343193690479293232333664682958929819614657
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[
true,
true,
true
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HCoCr8NOPt7
|
CoCr8HNOPt7
|
A8B7CDEF
|
[
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/4607/MD_5808781280147669841634607.json
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PO_5990800022982768423616795
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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CO_1152694204266589782598622
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HIrNNi8OPt7
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HIrNNi8OPt7
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A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/8249/MD_2707516345702497404558249.json
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PO_1145578677285278233986743
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| 2025-04-16T15:43:53
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DS_ffsgl0wufoft_0
| 1
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VASP
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rPBE
| null |
[] |
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CO_1332891734011429599986389
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HCo8NNiOPt7
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Co8HNNiOPt7
|
A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/4653/MD_8463040577964237675064653.json
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PO_6005301137145976265516908
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| 2025-04-16T21:44:51
|
DS_ffsgl0wufoft_0
| 1
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VASP
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rPBE
| null |
[] |
[] | null | null | null | null | -5.554135
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CO_6939845782586729367928195
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HNNb4OPt11Ru
|
HNNb4OPt11Ru
|
A11B4CDEF
|
[
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41,
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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/2486/MD_8206323562562956893652486.json
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PO_1150195343712284791739136
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| 2025-04-16T16:51:12
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.535388
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CO_3586718394438928720894868
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true
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HFeNOOs8Pt7
|
FeHNOOs8Pt7
|
A8B7CDEF
|
[
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[
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26,
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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/2829/MD_4331936506614413041872829.json
| null |
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PO_6064175551802488579068146
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| 2025-04-16T22:04:30
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.136868
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CO_9806044310674250440122068
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[
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true
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HCrNOOs8Pt7
|
CrHNOOs8Pt7
|
A8B7CDEF
|
[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/7060/MD_7985608990793114265537060.json
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/8862/MD_6409399767085902308898862.json
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PO_1162885948179845370309570
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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CO_9131465967236093130332969
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HCuNOPt7Rh8
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CuHNOPt7Rh8
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A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/8012/MD_9136846143422632159018012.json
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PO_6170040166638245311394778
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| 2025-04-16T16:25:16
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DS_ffsgl0wufoft_0
| 1
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VASP
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rPBE
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HIr8NOPt8
|
HIr8NOPt8
|
A8B8CDE
|
[
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/4135/MD_3582136334279868672634135.json
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PO_1161860959017721080236323
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| 2025-04-16T17:08:55
|
DS_ffsgl0wufoft_0
| 1
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VASP
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rPBE
| null |
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HCr8NOPt7W
|
Cr8HNOPt7W
|
A8B7CDEF
|
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| 6
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2422/MD_3742932419785074094542422.json
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PO_6163437394202637859068750
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| 2025-04-16T20:50:01
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.265194
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CO_7095837288185015899797203
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[
true,
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true
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HCo8CuNOPt7
|
Co8CuHNOPt7
|
A8B7CDEF
|
[
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"H",
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[
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78,
27,
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29,
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8,
1,
7
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| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_83"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2298/MD_1196227198684725201332298.json
| null |
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PO_6199431353311688449194893
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| 2025-04-16T18:30:32
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.960137
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CO_2349995980957728781508544
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[
true,
true,
true
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HCrNOPt7Rh8
|
CrHNOPt7Rh8
|
A8B7CDEF
|
[
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"H",
"N",
"O",
"Pt",
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[
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78,
45,
45,
78,
24,
45,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_197"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/3006/MD_1155176631222570557043006.json
| null |
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|
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|
PO_6218783518055478105579890
|
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| 2025-04-16T18:04:13
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.935722
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CO_2983213120201165635015415
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[
true,
true,
true
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HIrNOPt7Ru8
|
HIrNOPt7Ru8
|
A8B7CDEF
|
[
"H",
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"N",
"O",
"Pt",
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[
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78,
44,
44,
78,
78,
44,
44,
78,
77,
44,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_159"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/9972/MD_3379888358922239780969972.json
| null |
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|
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|
PO_6255904517647019648290197
|
6255904517647019648290197776597815241462041788450622746164378092372525108202479237503983274210057846198967366883782878057568489260801996694201436557874018
| 2025-04-16T16:10:41
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.087387
| null | null | null | null |
CO_9563176409764252879438458
|
9563176409764252879438458842305937582727835264127347457568708395503066995366012541165682996263902106557588579720722415753878155954529568751335745287990151
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[
true,
true,
true
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HCu4NOPt11Ru
|
Cu4HNOPt11Ru
|
A11B4CDEF
|
[
"Cu",
"H",
"N",
"O",
"Pt",
"Ru"
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[
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0.5789473684210527,
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[
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78,
29,
78,
78,
78,
78,
29,
78,
44,
29,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_211"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/7627/MD_1140496228663736628367627.json
| null |
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|
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|
PO_6336609697241035335520716
|
6336609697241035335520716773578362425121724939668890987061156946613579093240786069133054886655263628074094518712169043174250082058738254595752658899667342
| 2025-04-16T21:44:51
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.956011
| null | null | null | null |
CO_3574685831963810821253542
|
3574685831963810821253542751573176191693636065637595851456242616377311830102672022897265886895203976972672300976744474067350471700515759317306409602409991
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[
true,
true,
true
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HNOOs8Pt7Ru
|
HNOOs8Pt7Ru
|
A8B7CDEF
|
[
"H",
"N",
"O",
"Os",
"Pt",
"Ru"
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[
0.05263157894736842,
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[
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76,
76,
78,
78,
76,
76,
78,
44,
76,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_140"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/9871/MD_3228572960048744938099871.json
| null |
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|
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|
PO_6328989626571492869818722
|
6328989626571492869818722064574904211948543189887850937863043562347778564250990839878034048302512536942580369271137658954031769713772429150038078260655604
| 2025-04-16T17:43:28
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.015805
| null | null | null | null |
CO_5828753473444067037993861
|
5828753473444067037993861766333234382749962235628514128364506061438232560695965551528142186242661015766279674610580995705596116956520941443047800162952995
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true
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HNOPt8Ru8
|
HNOPt8Ru8
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A8B8CDE
|
[
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44,
44,
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78,
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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/5536/MD_4182552499960941142045536.json
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PO_6319086822265761847928517
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| 2025-04-16T19:01:50
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.318762
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CO_6412497808707333129100925
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true
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HNOOs4Pt11W
|
HNOOs4Pt11W
|
A11B4CDEF
|
[
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76,
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74,
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1,
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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/6021/MD_1087856026253247273716021.json
| null |
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PO_6345358896520546372714447
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| 2025-04-16T21:22:14
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.798956
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CO_8789232890962135820197310
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[
true,
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true
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HCr8NOPt7Ru
|
Cr8HNOPt7Ru
|
A8B7CDEF
|
[
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24,
24,
78,
44,
24,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_62"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/3137/MD_6726883292667503178573137.json
| null |
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|
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PO_1184402145472283694259895
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| 2025-04-16T21:51:46
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.445726
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CO_2025269957551568715204692
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2025269957551568715204692915632314773283793359098129275294565769708963084962282729853185176166093216619423225885688058456116109571396090332477453880073236
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[
true,
true,
true
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HCu4NOPt11Zn
|
Cu4HNOPt11Zn
|
A11B4CDEF
|
[
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[
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78,
78,
78,
78,
29,
78,
30,
29,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_244"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/4822/MD_6771522406578443348684822.json
| null |
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|
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|
PO_6394511834408605577096787
|
6394511834408605577096787092886562211042519259059436981079849148307447382440346152754445179175816427434537611663905600093425960766373988225531345434291732
| 2025-04-16T18:44:20
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.925617
| null | null | null | null |
CO_8105784830217809743990018
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8105784830217809743990018682095098053787241295999250463217627979771367716484022029240396167663272338731388583213014612950738228986935051301870980130046067
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[
true,
true,
true
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HCrNOPt7Tc8
|
CrHNOPt7Tc8
|
A8B7CDEF
|
[
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"H",
"N",
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"Tc"
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[
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43,
43,
78,
24,
43,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_41"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/6400/MD_1202584132404755275366400.json
| null |
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|
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|
PO_6397586978919294325189974
|
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| 2025-04-16T20:22:40
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.213715
| null | null | null | null |
CO_2266149398223774987734765
|
2266149398223774987734765560105426253598363331202024098352771796759246345838302909401641350350487542150052345132525173515830752454885447365930941974554924
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[
true,
true,
true
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HMoNOOs4Pt11
|
HMoNOOs4Pt11
|
A11B4CDEF
|
[
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78,
76,
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42,
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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/8626/MD_1053966297923381493178626.json
| null |
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PO_1188413270544278385981070
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| 2025-04-16T21:37:17
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.732155
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CO_7502151083136553770224961
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true,
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true
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HCuNOPt7Rh8
|
CuHNOPt7Rh8
|
A8B7CDEF
|
[
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45,
45,
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29,
45,
8,
1,
7
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| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_94"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/8182/MD_3830089583976137239438182.json
| null |
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|
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PO_1187594267165913389193632
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| 2025-04-16T16:50:16
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.084946
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CO_1259475395056619523141709
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[
true,
true,
true
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HIr4NOPt11Zn
|
HIr4NOPt11Zn
|
A11B4CDEF
|
[
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78,
78,
77,
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30,
77,
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/4924/MD_5041619286067060465274924.json
| null |
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|
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|
PO_6413291098377548196078989
|
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| 2025-04-17T17:35:57
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.125534
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CO_4382583904587914313060881
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[
true,
true,
true
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HNOPdPt7Ru8
|
HNOPdPt7Ru8
|
A8B7CDEF
|
[
"H",
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"O",
"Pd",
"Pt",
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[
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44,
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78,
44,
44,
78,
46,
44,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_27"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/9318/MD_1009665688617503989409318.json
| null |
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|
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|
PO_6414365104446456551410866
|
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| 2025-04-16T21:21:56
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.704052
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CO_2624062812414471529505179
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2624062812414471529505179074044725787890991364304452645291771403029656926263158680440892776132974272383713670420206011569364412253456871728105014431849271
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[
true,
true,
true
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HAgNOPt11Sc4
|
AgHNOPt11Sc4
|
A11B4CDEF
|
[
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[
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78,
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21,
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47,
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8,
1,
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] | 19
| 6
| 0
|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2248/MD_7059752139698133798972248.json
| null |
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|
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|
PO_1199663202116279305249462
|
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| 2025-04-16T15:43:19
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.960855
| null | null | null | null |
CO_1733263027945007486664850
|
1733263027945007486664850423463619945239131237714844500928526711941797931523873420525778391556906832117938912092043990620662690880371330118804803802512495
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1.4078496013424162,
18.982
],
[
1.4078496013424162,
4.223548804027248,
18.982
],
[
4.223548804027248,
4.223548804027248,
18.982
],
[
0,
0,
20.973
],
[
2.8156992026848324,
0,
20.973
],
[
0,
2.8156992026848324,
20.973
],
[
2.8156992026848324,
2.8156992026848324,
20.973
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[
0.1,
1.5078496013424163,
22.473
],
[
0.7293340650157999,
1.5078496013424163,
23.223011132924498
],
[
1.4078496013424162,
4.223548804027248,
22.122999999999998
]
] |
[
true,
true,
true
] |
HNOPd4Pt12
|
HNOPd4Pt12
|
A12B4CDE
|
[
"H",
"N",
"O",
"Pd",
"Pt"
] |
[
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.21052631578947367,
0.631578947368421
] |
[
78,
78,
78,
78,
46,
78,
78,
46,
78,
78,
78,
78,
46,
78,
78,
46,
8,
1,
7
] | 19
| 5
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_319"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/3163/MD_8051599814325070024423163.json
| null |
{"id": "MD_8051599814325070024423163", "hash": "8051599814325070024423163666531614756006290034754678427887027214409154612030953189129539751142692862816594747875275358675614023745624591391190250863494068"}
|
{"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_1198099553262193281359106
|
11980995532621932813591061490005951437086348654291426038954602292543524722499631781283602388841538595673682284247177030834911243668371791613433126084190241
| 2025-04-16T21:14:40
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.95412
| null | null | null | null |
CO_6428210420131792816142268
|
642821042013179281614226846759898628759230894735078869657864234949051527898675238140815790046658539322707721197900949829471709771463617969914955537239556
|
4179711093175182045718077691927245120941263599528741344021067685508651086097421333659339258430732629377607132080590890023965403033599851852907110446766003
|
[
[
5.478429606081781,
0,
0
],
[
0,
5.478429606081781,
0
],
[
0,
0,
35.81075208707036
]
] |
[
[
1.3696074015204454,
1.3696074015204454,
15
],
[
4.108822204561336,
1.3696074015204454,
15
],
[
1.3696074015204454,
4.108822204561336,
15
],
[
4.108822204561336,
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15
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[
0,
0,
16.936917362356787
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[
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16.936917362356787
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[
0,
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],
[
2.7392148030408907,
2.7392148030408907,
16.936917362356787
],
[
1.3696074015204454,
1.3696074015204454,
18.873834724713575
],
[
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18.873834724713575
],
[
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18.873834724713575
],
[
4.108822204561336,
4.108822204561336,
18.873834724713575
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[
0,
0,
20.810752087070362
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[
2.7392148030408907,
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20.810752087070362
],
[
0,
2.7392148030408907,
20.810752087070362
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[
2.7392148030408907,
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[
0.1,
1.4696074015204454,
22.310752087070362
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[
0.7293340650157999,
1.4696074015204454,
23.06076321999486
],
[
1.3696074015204454,
4.108822204561336,
21.96075208707036
]
] |
[
true,
true,
true
] |
HFeNOPt7V8
|
FeHNOPt7V8
|
A8B7CDEF
|
[
"Fe",
"H",
"N",
"O",
"Pt",
"V"
] |
[
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.3684210526315789,
0.42105263157894735
] |
[
23,
78,
78,
23,
23,
78,
78,
23,
23,
78,
78,
23,
23,
78,
26,
23,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_116"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/8426/MD_4301015673408001171388426.json
| null |
{"id": "MD_4301015673408001171388426", "hash": "4301015673408001171388426752653762925030055049291168443492035941320446593077892832539588564835792950205290014123238858189176811563893616704708223879610055"}
|
{"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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