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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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A11B4CDEF
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data/MD/5735/MD_1485739496121725602485735.json
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DS_ffsgl0wufoft_0
| 1
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VASP
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rPBE
| null |
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CO_4279542020421439235027003
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A11B4CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/1388/MD_3496633014911851101601388.json
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PO_8164913212568817288831517
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DS_ffsgl0wufoft_0
| 1
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VASP
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rPBE
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CO_9764133097329973510843124
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HCoIr4NOPt11
|
CoHIr4NOPt11
|
A11B4CDEF
|
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2915/MD_4277664970663394927972915.json
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PO_1585115322771128905985225
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| 2025-04-16T20:36:03
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
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CO_8955007803636515233702384
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HNOPt11Rh4W
|
HNOPt11Rh4W
|
A11B4CDEF
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/6801/MD_3723963520308566430396801.json
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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CO_1701524300059677520869420
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HCrIr4NOPt11
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CrHIr4NOPt11
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A11B4CDEF
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0
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/8580/MD_7954385524337399386348580.json
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PO_8210407067877323326059087
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| 2025-04-16T21:13:01
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DS_ffsgl0wufoft_0
| 1
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VASP
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rPBE
| null |
[] |
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CO_8395293666628904076646460
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HNOPdPt11Rh4
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HNOPdPt11Rh4
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A11B4CDEF
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[
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/8787/MD_7131612608177486580878787.json
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PO_8201913101839473877186843
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| 2025-04-16T17:32:46
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.453735
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CO_4724765223041759921912016
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HIrNOPt11V4
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HIrNOPt11V4
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A11B4CDEF
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0
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/6821/MD_4895972555414118733996821.json
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PO_1624424425378555157319967
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| 2025-04-16T16:55:35
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.213108
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CO_2685805546946893269711398
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HNOPt11RhZn4
|
HNOPt11RhZn4
|
A11B4CDEF
|
[
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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/2209/MD_6188653126526586770172209.json
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PO_1622211225386187599878916
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| 2025-04-16T15:44:09
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.628446
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CO_8976915546919061169336016
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HNNi8OPt7Rh
|
HNNi8OPt7Rh
|
A8B7CDEF
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/0705/MD_7224803958106292885960705.json
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PO_8256185042416213882970523
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DS_ffsgl0wufoft_0
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VASP
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rPBE
| null |
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CO_1916452109397278209849088
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A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/5783/MD_8042804095024789304705783.json
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PO_1656502332708836286410406
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DS_ffsgl0wufoft_0
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VASP
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rPBE
| null |
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CO_1068102036869365408400587
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CoHNOOs8Pt7
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A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/9122/MD_9056947674374312896609122.json
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PO_1665694472111634251156016
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| 2025-04-16T18:09:14
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DS_ffsgl0wufoft_0
| 1
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VASP
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rPBE
| null |
[] |
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CO_1304585314855097027603155
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HNNiOOs8Pt7
|
HNNiOOs8Pt7
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A8B7CDEF
|
[
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| 6
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/9194/MD_5044429543289068339509194.json
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PO_8274616270750568126211277
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| 2025-04-17T18:16:17
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.005953
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CO_1243161431332664000013664
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HNNi8OPt7Ru
|
HNNi8OPt7Ru
|
A8B7CDEF
|
[
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/9566/MD_7411914730095771399919566.json
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PO_1694626925759647977517497
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| 2025-04-16T17:06:11
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.737629
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CO_2138733408360602008136814
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HNNiOPt11Rh4
|
HNNiOPt11Rh4
|
A11B4CDEF
|
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/7419/MD_6706300673665783240167419.json
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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HIrNOPt7Re8
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A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/6221/MD_3706549895809928523156221.json
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PO_1810445264942936690622624
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DS_ffsgl0wufoft_0
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VASP
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rPBE
| null |
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CO_7923625893143294962489835
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HCuNNi4OPt11
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CuHNNi4OPt11
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A11B4CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/5459/MD_5627182847827529162245459.json
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PO_1822714305840138182606018
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| 2025-04-16T20:34:49
|
DS_ffsgl0wufoft_0
| 1
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VASP
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rPBE
| null |
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CO_7810139583292713886428216
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HIrNOPt7Tc8
|
HIrNOPt7Tc8
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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/3821/MD_1222795382739433973693821.json
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PO_8431672356673347610860578
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| 2025-04-16T18:06:57
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
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CO_1045393338946494783348398
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HNOPt12Rh4
|
HNOPt12Rh4
|
A12B4CDE
|
[
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/0265/MD_9926048601556984995660265.json
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PO_8485788455423676401565844
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| 2025-04-16T17:29:12
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.952009
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CO_3138621967996137108260208
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HNOPd8Pt8
|
HNOPd8Pt8
|
A8B8CDE
|
[
"H",
"N",
"O",
"Pd",
"Pt"
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[
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
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46,
78,
78,
46,
46,
78,
78,
46,
46,
78,
78,
46,
8,
1,
7
] | 19
| 5
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_158"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2010/MD_1291707738295758083202010.json
| null |
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PO_8523132497442500462335141
|
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| 2025-04-16T20:19:21
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.392822
| null | null | null | null |
CO_1049231959869645322430988
|
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[
true,
true,
true
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HNNi8OPt7Zn
|
HNNi8OPt7Zn
|
A8B7CDEF
|
[
"H",
"N",
"Ni",
"O",
"Pt",
"Zn"
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[
0.05263157894736842,
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0.42105263157894735,
0.05263157894736842,
0.3684210526315789,
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28,
78,
78,
28,
28,
78,
78,
28,
28,
78,
30,
28,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_152"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/8124/MD_1206920552808287503858124.json
| null |
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|
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|
PO_8558758060594791104883493
|
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| 2025-04-16T17:19:02
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.586209
| null | null | null | null |
CO_4284285763240814604677633
|
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22.080999999999996
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[
true,
true,
true
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HCuNOPt11Zn4
|
CuHNOPt11Zn4
|
A11B4CDEF
|
[
"Cu",
"H",
"N",
"O",
"Pt",
"Zn"
] |
[
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.5789473684210527,
0.21052631578947367
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[
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78,
78,
78,
30,
78,
78,
30,
78,
78,
78,
78,
30,
78,
29,
30,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_243"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/3007/MD_1154488895854647126603007.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_8558830162419594431529340
|
8558830162419594431529340864787031648200571946501273989466771996414990374865132476781583185823666106359274948262309218447073218613906277400428295916511009
| 2025-04-16T21:51:46
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.659451
| null | null | null | null |
CO_1161945263836629267456017
|
11619452638366292674560177083461005216396000323504709579464975338587938102062409308560318698658062556670137469112061256345823210035957999493219838016308910
|
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0
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[
0,
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0
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[
0,
0,
35.9325
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[
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[
1.3983036597963978,
4.194910979389194,
22.082499999999996
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] |
[
true,
true,
true
] |
HNOOs4PdPt11
|
HNOOs4PdPt11
|
A11B4CDEF
|
[
"H",
"N",
"O",
"Os",
"Pd",
"Pt"
] |
[
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.21052631578947367,
0.05263157894736842,
0.5789473684210527
] |
[
78,
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78,
78,
76,
78,
78,
76,
78,
78,
78,
78,
76,
78,
46,
76,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_306"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/4689/MD_6819462231005572181254689.json
| null |
{"id": "MD_6819462231005572181254689", "hash": "6819462231005572181254689371244351245726710209086880474673752221399429282488950801555195826912327332577973713928642171482750733283652445798535934836826467"}
|
{"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_8611024574958135572788004
|
8611024574958135572788004410421596872576940430953146738080797394885394999549702038316764484994452866418640978928754542410371811208874101000637382381197933
| 2025-04-16T17:32:29
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.354537
| null | null | null | null |
CO_1144228314983878345788535
|
11442283149838783457885355211949062868569708099650005636123255245647428216297396383193027904980960308893781318872377673236481441130633110576223123735548872
|
8894044699575864547517812916391996878507753601167590872983837503327477169922287596421684552739385450133481713217547485636603685709995339607069343808349028
|
[
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0,
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0
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[
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35.862
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[
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15
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15
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[
1.381686650438514,
4.145059951315542,
22.012
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] |
[
true,
true,
true
] |
HCo4NOPdPt11
|
Co4HNOPdPt11
|
A11B4CDEF
|
[
"Co",
"H",
"N",
"O",
"Pd",
"Pt"
] |
[
0.21052631578947367,
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
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] |
[
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27,
78,
78,
27,
78,
78,
78,
78,
27,
78,
46,
27,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_220"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2108/MD_1318499285443038666872108.json
| null |
{"id": "MD_1318499285443038666872108", "hash": "13184992854430386668721088860503905352128862459049665200505442415323693688184875370585549831439052236772300380361030652424436691658485487831621894591397621"}
|
{"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_2009498441455974685994979
|
2009498441455974685994979256013528913173220833082957148323767442670720781680858713680142819719812485298722915078997551425598888583804613090319435760576091
| 2025-04-16T21:43:16
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.678703
| null | null | null | null |
CO_5761292065811128211118403
|
5761292065811128211118403018293147168895383455077479962046975808462873262066604881445907388788830551208276420698158412430942965466508399227749370111341968
|
7575618005066991714313012991611189582195089031436653821506074332924927791225344198578990739354420970415865593207409143738367792557895684613220802636192353
|
[
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0
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[
0,
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0
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[
0,
0,
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] |
[
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15
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4.15899775320465,
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22.031711028461245
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] |
[
true,
true,
true
] |
HNOOs8Pt8
|
HNOOs8Pt8
|
A8B8CDE
|
[
"H",
"N",
"O",
"Os",
"Pt"
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1,
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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/0391/MD_8134205926940968171880391.json
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PO_2007552875592577755911411
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| 2025-04-16T21:57:13
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DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
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CO_1234844824257999879277209
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HNNb8OPt7Ru
|
HNNb8OPt7Ru
|
A8B7CDEF
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[
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41,
41,
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44,
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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/4903/MD_1733402259485468203954903.json
| null |
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PO_2031362022219244970743667
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| 2025-04-16T18:52:40
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.511257
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CO_8820793181400913660486270
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HNOPt7RuTc8
|
HNOPt7RuTc8
|
A8B7CDEF
|
[
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43,
43,
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44,
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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/2654/MD_2550259732463898988062654.json
| null |
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PO_8664528611302147323376569
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| 2025-04-16T17:47:45
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.273144
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CO_2019583349344365754084559
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[
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HNOPt7Tc8W
|
HNOPt7Tc8W
|
A8B7CDEF
|
[
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43,
43,
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74,
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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/5425/MD_1623187693018848365005425.json
| null |
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PO_2076978165271527189994090
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2076978165271527189994090492213567218627675901599173978886764143906897138461246704886129305669505329373047075171415433670500629513546806666573269460951998
| 2025-04-16T16:51:12
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.204307
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CO_9032069460957265963928512
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[
true,
true,
true
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HFe4NOPt11Ru
|
Fe4HNOPt11Ru
|
A11B4CDEF
|
[
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[
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78,
26,
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44,
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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/4130/MD_3562092110930936568644130.json
| null |
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|
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|
PO_2066550917641143553767621
|
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| 2025-04-16T15:41:03
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.544513
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CO_1260946005506621074310316
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[
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true,
true
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HCoFe4NOPt11
|
CoFe4HNOPt11
|
A11B4CDEF
|
[
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[
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78,
78,
78,
78,
26,
78,
27,
26,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_256"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/1862/MD_6534555791791182750511862.json
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PO_2044107360473090467742867
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| 2025-04-16T20:32:46
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.839911
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CO_9301958112937216983807461
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true,
true,
true
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HAu4IrNOPt11
|
Au4HIrNOPt11
|
A11B4CDEF
|
[
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[
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79,
78,
78,
78,
78,
79,
78,
77,
79,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_311"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/0614/MD_1014677624005235905620614.json
| null |
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PO_2081705052448760290859613
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| 2025-04-16T16:45:11
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.469553
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CO_1858395887208508034105838
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[
true,
true,
true
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HCrNOPt7Ru8
|
CrHNOPt7Ru8
|
A8B7CDEF
|
[
"Cr",
"H",
"N",
"O",
"Pt",
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[
0.05263157894736842,
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78,
44,
44,
78,
24,
44,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_82"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/0634/MD_9506876448676683547580634.json
| null |
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|
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PO_2096024298588477590095801
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| 2025-04-17T17:35:57
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.488387
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CO_1113725438013561135907720
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1113725438013561135907720725239652025806277598358623252292613016431464146680380061837144978005477361809119085253261270204363852936872375380187821387099404
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[
true,
true,
true
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HCr8FeNOPt7
|
Cr8FeHNOPt7
|
A8B7CDEF
|
[
"Cr",
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"H",
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"O",
"Pt"
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[
0.42105263157894735,
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78,
24,
24,
78,
78,
24,
24,
78,
26,
24,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_110"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/9786/MD_1069499099152538203699786.json
| null |
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|
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|
PO_8684151458561171827432872
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| 2025-04-16T18:07:18
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.36985
| null | null | null | null |
CO_3826125684489818618841027
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3826125684489818618841027428709210771113424164316474793773352328121774499372390827127449382757477965704232562030501002846509567625938063352858673791011588
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10007145422200521231523504286482704725668622366255954883598044180608348725446196777914842978722580618613218217932376016763405281166599865465696144740637055
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[
true,
true,
true
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HCo8NOPt7Zn
|
Co8HNOPt7Zn
|
A8B7CDEF
|
[
"Co",
"H",
"N",
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"Pt",
"Zn"
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[
0.42105263157894735,
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78,
27,
27,
78,
78,
27,
27,
78,
30,
27,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_113"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/6846/MD_4629663857461797777426846.json
| null |
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|
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|
PO_2122327895787336725149723
|
2122327895787336725149723203335662765418832447543844320827053029668686249166350045639793614316094548968849112452112093656010627837815986044744235889696901
| 2025-04-16T16:29:45
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.372524
| null | null | null | null |
CO_1093076837491901626722684
|
10930768374919016267226846796156955580352234975773966292666279134053792703450724875099720819859460803016950685663806593782967738699062541432600593369766697
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true,
true,
true
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HNOPd4Pt11Rh
|
HNOPd4Pt11Rh
|
A11B4CDEF
|
[
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[
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78,
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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_260"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/9350/MD_1461053890643838518229350.json
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PO_2148312250185437804835418
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| 2025-04-16T21:43:16
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.658362
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CO_2823820745302715255882040
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true,
true,
true
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HIrNOPt11Rh4
|
HIrNOPt11Rh4
|
A11B4CDEF
|
[
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78,
78,
45,
78,
77,
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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/8536/MD_1196252899274267284598536.json
| null |
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PO_8762818255187052808713120
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| 2025-04-16T16:23:37
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.423257
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CO_8638005941785569122423273
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[
true,
true,
true
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HCr8NNiOPt7
|
Cr8HNNiOPt7
|
A8B7CDEF
|
[
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78,
78,
24,
24,
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28,
24,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_74"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/9474/MD_5416570663988546044889474.json
| null |
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PO_2188312616439756314759342
|
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| 2025-04-16T16:08:30
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.296218
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CO_4351105965272727419428350
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[
true,
true,
true
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HFe4NOPt11Zn
|
Fe4HNOPt11Zn
|
A11B4CDEF
|
[
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"N",
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[
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[
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78,
26,
78,
78,
78,
78,
26,
78,
30,
26,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_302"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/3465/MD_3646802664655334390323465.json
| null |
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|
PO_8785591823829181599975551
|
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| 2025-04-16T15:42:26
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.219479
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CO_7645621421381279116627151
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[
true,
true,
true
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HCo4NOPt11Ru
|
Co4HNOPt11Ru
|
A11B4CDEF
|
[
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[
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78,
78,
27,
78,
44,
27,
8,
1,
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] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
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] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/1654/MD_1003356542300785124691654.json
| null |
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|
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|
PO_2218410152278316897932620
|
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| 2025-04-16T17:18:32
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.989236
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CO_1212962197745367926548524
|
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true
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HCuNOPd8Pt7
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CuHNOPd8Pt7
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A8B7CDEF
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[
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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/3964/MD_1175484158767584000573964.json
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PO_8815257518115311567876500
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| 2025-04-16T16:31:58
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
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CO_8125779917105817360489475
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[
true,
true,
true
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HFeNOPt11Ru4
|
FeHNOPt11Ru4
|
A11B4CDEF
|
[
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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/8826/MD_1261447260258583244418826.json
| null |
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PO_8897546531128211678834560
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| 2025-04-16T18:22:24
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.101378
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CO_1006019320119057760516846
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[
true,
true,
true
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HIrMn8NOPt7
|
HIrMn8NOPt7
|
A8B7CDEF
|
[
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78,
78,
25,
25,
78,
77,
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8,
1,
7
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| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_19"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/5668/MD_7128489077168148388785668.json
| null |
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PO_8964536419416749402635860
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| 2025-04-16T16:52:33
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -6.314665
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CO_5504620989937938410946012
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5504620989937938410946012478123761719979302436846315634522883662250225800979612170202056086232659510404331015506300600212754538182945012026353470843623077
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[
true,
true,
true
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HCrNOPt11V4
|
CrHNOPt11V4
|
A11B4CDEF
|
[
"Cr",
"H",
"N",
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"V"
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[
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78,
78,
78,
23,
78,
24,
23,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_273"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/3487/MD_7985517702742293264713487.json
| null |
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|
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PO_8999444530349940960336346
|
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| 2025-04-16T21:56:50
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.710616
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CO_1082750870539377227940494
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[
true,
true,
true
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HHf4NOPt11Ru
|
HHf4NOPt11Ru
|
A11B4CDEF
|
[
"H",
"Hf",
"N",
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"Pt",
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[
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78,
78,
72,
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44,
72,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_272"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/1272/MD_2085583170672866153301272.json
| null |
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|
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|
PO_8906108510879683370581295
|
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| 2025-04-16T19:05:49
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.135364
| null | null | null | null |
CO_7403769207496043704118160
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7403769207496043704118160434579712010793447209824065242091807167865430232053264456330780276439885004808105987011344599473006491372704037789069410958524946
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Cd8HNOPt7Rh
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/4515/MD_8711532118334240854344515.json
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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CrHNOPt7Re8
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A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/6698/MD_5644153092189714957196698.json
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PO_2395497613121588722145931
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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CO_1317501167632379778967832
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HNOPt7RuTc8
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HNOPt7RuTc8
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A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/2259/MD_1038830043541006541442259.json
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PO_2402223809279910895896668
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| 2025-04-16T16:56:48
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DS_ffsgl0wufoft_0
| 1
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VASP
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rPBE
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CO_6082761856451335222422914
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HMoNOPt7Ru8
|
HMoNOPt7Ru8
|
A8B7CDEF
|
[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/7109/MD_1100008357671080278177109.json
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PO_8931604798886752247726162
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| 2025-04-16T20:44:11
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
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CO_8517115791525015126853153
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HNNi8OPt8
|
HNNi8OPt8
|
A8B8CDE
|
[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/6102/MD_9011608634816226192456102.json
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PO_2420057298569477222238747
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| 2025-04-16T19:57:30
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
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CO_1082098082168701649014159
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HNNi8OPt8
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HNNi8OPt8
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A8B8CDE
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/5922/MD_3321788953739940066585922.json
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PO_2493348965621871140904526
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DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
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[] |
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CO_1370158096456603585630274
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HFeNNi4OPt11
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FeHNNi4OPt11
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A11B4CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/6555/MD_7595043095400874405426555.json
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PO_2473938186140004383751801
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| 2025-04-16T20:59:49
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
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[] |
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CO_1179083627543661231531518
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HIrNOPt7Zn8
|
HIrNOPt7Zn8
|
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/6233/MD_6180798421812462437326233.json
| null |
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PO_9087577237629104654079072
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| 2025-04-16T16:06:22
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.826385
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CO_8077554039306895776570682
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true,
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true
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HNOPt7Rh8Zn
|
HNOPt7Rh8Zn
|
A8B7CDEF
|
[
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30,
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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/6911/MD_5270791829274178965356911.json
| null |
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PO_9102014058094005270789421
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| 2025-04-16T15:14:05
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.905999
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CO_2270295073438034629990926
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[
true,
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true
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HIr8MoNOPt7
|
HIr8MoNOPt7
|
A8B7CDEF
|
[
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42,
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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/9416/MD_1505478265568633981579416.json
| null |
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|
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PO_9104898277197082225380600
|
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| 2025-04-16T15:44:22
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.895286
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CO_8119719321886937729727747
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HIr4NNiOPt11
|
HIr4NNiOPt11
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A11B4CDEF
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[
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0
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/5553/MD_1161838072740538869715553.json
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PO_9100654198554516193413895
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| 2025-04-16T21:27:46
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.352737
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CO_7546534730839398851263964
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true
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HFeNOPt7Zn8
|
FeHNOPt7Zn8
|
A8B7CDEF
|
[
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30,
30,
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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/0987/MD_3029590514472457577640987.json
| null |
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PO_9070727516039569808332644
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| 2025-04-16T15:44:29
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.526003
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CO_7493697038516547461677595
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[
true,
true,
true
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HCr8NOPt7Rh
|
Cr8HNOPt7Rh
|
A8B7CDEF
|
[
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78,
24,
24,
78,
45,
24,
8,
1,
7
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| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_121"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/3880/MD_2170272528956383505193880.json
| null |
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PO_9122675763669985952973257
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| 2025-04-16T16:50:03
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.704875
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CO_3835329811507784281454022
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[
true,
true,
true
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HCu4NOPdPt11
|
Cu4HNOPdPt11
|
A11B4CDEF
|
[
"Cu",
"H",
"N",
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"Pd",
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[
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78,
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78,
78,
78,
78,
29,
78,
46,
29,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_214"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/0408/MD_6540739259238051959960408.json
| null |
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|
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|
PO_2539593287450057584701917
|
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| 2025-04-16T19:56:37
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.417352
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CO_1276557541559585249240745
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12765575415595852492407454551812307858008306133432505984450054635027670648777395048959094435777068841828380146147947677193495736959364920241206340941209015
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[
true,
true,
true
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HCoCr4NOPt11
|
CoCr4HNOPt11
|
A11B4CDEF
|
[
"Co",
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[
0.05263157894736842,
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[
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78,
78,
78,
78,
24,
78,
27,
24,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_218"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/6053/MD_1263524089856974982576053.json
| null |
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|
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|
PO_2538468634777253127418201
|
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| 2025-04-16T21:51:46
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.761172
| null | null | null | null |
CO_6243769361407617921452942
|
6243769361407617921452942274155939575624954078156298588364695852438211398674483953379969933161835753733447561538892263618834280667666398065605878117564715
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[
true,
true,
true
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HCo4MoNOPt11
|
Co4HMoNOPt11
|
A11B4CDEF
|
[
"Co",
"H",
"Mo",
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"O",
"Pt"
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[
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27,
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78,
27,
78,
78,
78,
78,
27,
78,
42,
27,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_258"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/0922/MD_3467467951135133449000922.json
| null |
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PO_2538131591985581148914945
|
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| 2025-04-16T18:35:06
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.173717
| null | null | null | null |
CO_7111131668836983096050573
|
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22
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[
true,
true,
true
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HNNi4OPt11Ru
|
HNNi4OPt11Ru
|
A11B4CDEF
|
[
"H",
"N",
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"O",
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[
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0.5789473684210527,
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28,
78,
78,
28,
78,
78,
78,
78,
28,
78,
44,
28,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_289"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/6479/MD_5412255330385662901966479.json
| null |
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|
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|
PO_2545325301345256737476988
|
2545325301345256737476988313327655604128426832617766640729595421528141939251985154185916044401081492015849082367002908562468616576759424408154004149708473
| 2025-04-16T20:10:51
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.058583
| null | null | null | null |
CO_3397227064917449215482600
|
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[
true,
true,
true
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HMoNOOs8Pt7
|
HMoNOOs8Pt7
|
A8B7CDEF
|
[
"H",
"Mo",
"N",
"O",
"Os",
"Pt"
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[
0.05263157894736842,
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0.05263157894736842,
0.05263157894736842,
0.42105263157894735,
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78,
76,
76,
78,
78,
76,
76,
78,
42,
76,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_172"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/1087/MD_4191666122233197893571087.json
| null |
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|
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|
PO_2560920230673361308463415
|
2560920230673361308463415600778718259647348366822895270204584677311386666357483204017768278670587235014969669899780562160983701949193736298090142060138812
| 2025-04-16T21:56:50
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -6.182857
| null | null | null | null |
CO_5107866957104647933413697
|
5107866957104647933413697137314953739047741174510844006299452516431769786804524433534001429399553256241745293970410671263745812461068595845049327359958213
|
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1.3813330970479207,
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22.0105
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[
true,
true,
true
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HCr5NOPt11
|
Cr5HNOPt11
|
A11B5CDE
|
[
"Cr",
"H",
"N",
"O",
"Pt"
] |
[
0.2631578947368421,
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.5789473684210527
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[
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24,
78,
78,
24,
78,
78,
78,
78,
24,
78,
24,
24,
8,
1,
7
] | 19
| 5
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_271"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/6689/MD_7161695079018711837976689.json
| null |
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|
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|
PO_9943492332764554022561057
|
9943492332764554022561057807094435935616863543419749737875903964506126327938980646513114875331642209325289322259227879501496631565536365858848351054844933
| 2025-04-16T21:21:56
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.612985
| null | null | null | null |
CO_5888223790359668070673075
|
5888223790359668070673075776725082281225355749184014341771106392259300794772436196676495214432351582541354672527294159822931550914866313329676886665737342
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1413852700762270238960277750003941081427935317514441595202749500187057456661304526347779940871550680210688268636856056020836291627550071926009501758407189
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[
1.3979501064058046,
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22.080999999999996
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[
true,
true,
true
] |
HNOPdPt11Zn4
|
HNOPdPt11Zn4
|
A11B4CDEF
|
[
"H",
"N",
"O",
"Pd",
"Pt",
"Zn"
] |
[
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.5789473684210527,
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[
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30,
78,
78,
30,
78,
78,
78,
78,
30,
78,
46,
30,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_270"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/3640/MD_1192750538334222500453640.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_9939987550858426763585999
|
9939987550858426763585999756025928747339462470947709723339029772288181544560952318630122024593443208089758829433437464523582562883829778268758621446693126
| 2025-04-16T21:38:17
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.428619
| null | null | null | null |
CO_3555949880906632486361573
|
3555949880906632486361573156673449043837694347013591087216460759058094558233342121462619942854470742340943495345575098869519832339015515143538328370134238
|
12592603914245997161158459332718018177472600104262661168344114742446447131244414541021108519335156544771480846975048885087693757469922546920602593558489571
|
[
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0,
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0
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[
0,
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] |
[
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A8B8CDE
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/2176/MD_8365107188312370359962176.json
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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HCoNNi4OPt11
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CoHNNi4OPt11
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A11B4CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/8034/MD_6949558489735200595618034.json
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PO_9210565150016063831776601
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| 2025-04-16T21:22:40
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DS_ffsgl0wufoft_0
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VASP
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rPBE
| null |
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CO_7864846557619703583542955
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HNOPdPt7Zn8
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HNOPdPt7Zn8
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A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/4855/MD_1144067923678131362104855.json
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PO_2700273139262476392735294
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| 2025-04-17T17:56:16
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
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CO_7699832650433119311471923
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HCo5NOPt11
|
Co5HNOPt11
|
A11B5CDE
|
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| 5
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/1421/MD_3458202199758375637071421.json
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PO_9239338400481564066225274
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| 2025-04-16T16:28:49
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.777495
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CO_7941769001470971868680896
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HIrNNi8OPt7
|
HIrNNi8OPt7
|
A8B7CDEF
|
[
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2378/MD_8972131801624571147142378.json
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PO_2737526492917830280315830
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| 2025-04-16T19:57:31
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.504603
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CO_5750707413464485660884450
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HCuNOOs8Pt7
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CuHNOOs8Pt7
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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/6304/MD_1893851141981202311306304.json
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PO_9292647214223446137092619
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| 2025-04-16T21:56:50
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.237475
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CO_1973747456674252996759112
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[
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HCr4NNiOPt11
|
Cr4HNNiOPt11
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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
|
data/MD/5321/MD_5551299356988199053205321.json
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PO_2795752937505907589666279
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| 2025-04-16T17:49:49
|
DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
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CO_1146915988581415630115981
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true
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HCrFe4NOPt11
|
CrFe4HNOPt11
|
A11B4CDEF
|
[
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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/4331/MD_8134462257939261283154331.json
| null |
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|
PO_9329236432510396412095318
|
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| 2025-04-16T16:20:54
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.111762
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CO_6681145954409164831613162
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[
true,
true,
true
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HCrIr8NOPt7
|
CrHIr8NOPt7
|
A8B7CDEF
|
[
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[
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77,
77,
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24,
77,
8,
1,
7
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| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_104"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/4215/MD_1121898824406349170864215.json
| null |
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|
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|
PO_9335244191617168603569714
|
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| 2025-04-16T18:42:12
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.131976
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CO_1755103337461698368788084
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[
true,
true,
true
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HNOPt7Re8W
|
HNOPt7Re8W
|
A8B7CDEF
|
[
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[
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78,
75,
75,
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74,
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8,
1,
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| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_183"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/1586/MD_4921791470501524959481586.json
| null |
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|
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|
PO_9378837853545896986124786
|
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| 2025-04-16T16:30:05
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.221619
| null | null | null | null |
CO_3010939738843525535226766
|
3010939738843525535226766188247842491937165702176029089592821871019889913138837738041099504618146777772522645311114510991931133923753295826921160532901853
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HFe8NOPt7Ru
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Fe8HNOPt7Ru
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A8B7CDEF
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/9609/MD_2335415361593040377419609.json
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PO_9392043787689250784100961
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| 2025-04-16T20:32:46
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DS_ffsgl0wufoft_0
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VASP
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rPBE
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CO_8059711088708314868799902
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HCo4IrNOPt11
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Co4HIrNOPt11
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A11B4CDEF
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/3837/MD_1100211993264599940813837.json
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PO_9411395203428841170479177
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| 2025-04-16T20:19:02
|
DS_ffsgl0wufoft_0
| 1
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VASP
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rPBE
| null |
[] |
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CO_6094708256078183376916463
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HMoNOPt7Tc8
|
HMoNOPt7Tc8
|
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/7356/MD_2917057614549200023727356.json
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PO_2928964506100324586586860
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| 2025-04-16T21:12:08
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.594698
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CO_1084215826694724578544736
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HIrNOPt7Rh8
|
HIrNOPt7Rh8
|
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/3895/MD_9312825315618615653373895.json
| null |
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PO_9457954379023952801367416
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| 2025-04-16T21:57:13
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.133539
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CO_5629250954114898430000209
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[
true,
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true
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HCrNOPt7Re8
|
CrHNOPt7Re8
|
A8B7CDEF
|
[
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[
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24,
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1,
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| 6
| 0
|
[
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0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/9495/MD_6463250101466945414079495.json
| null |
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|
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PO_9446456507449672826671655
|
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| 2025-04-16T17:31:19
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.766407
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CO_4849216724715292227957521
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HIrNOPt7V8
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HIrNOPt7V8
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A8B7CDEF
|
[
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|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/1538/MD_8887489479893062749561538.json
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PO_2933964839515490228095542
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DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.72853
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CO_7213044446612417148747745
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[
true,
true,
true
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HCu8NOPt8
|
Cu8HNOPt8
|
A8B8CDE
|
[
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[
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1,
7
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| 5
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|
[
0,
0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/6356/MD_2206585351399888440046356.json
| null |
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PO_2946657119931569934101198
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| 2025-04-16T18:07:55
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.131104
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CO_2609945228593969701408888
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[
true,
true,
true
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HMoNOPt11Ru4
|
HMoNOPt11Ru4
|
A11B4CDEF
|
[
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"N",
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[
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78,
44,
78,
42,
44,
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/3036/MD_1289315114728657419603036.json
| null |
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PO_2954446796519912168725898
|
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| 2025-04-16T20:03:53
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.076804
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CO_7932388627470207481989887
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[
true,
true,
true
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HCo8NOPt7Ru
|
Co8HNOPt7Ru
|
A8B7CDEF
|
[
"Co",
"H",
"N",
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"Pt",
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[
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27,
78,
78,
27,
27,
78,
44,
27,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_14"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/0375/MD_1872929846021459360140375.json
| null |
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|
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|
PO_9460406426506592317620361
|
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| 2025-04-16T18:20:07
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.596211
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CO_9742127932290055643085983
|
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[
true,
true,
true
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HCu8IrNOPt7
|
Cu8HIrNOPt7
|
A8B7CDEF
|
[
"Cu",
"H",
"Ir",
"N",
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"Pt"
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[
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29,
78,
78,
29,
29,
78,
77,
29,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_123"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/1421/MD_1187730844400645702651421.json
| null |
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|
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|
PO_9490548043654748965602704
|
9490548043654748965602704084465522836284244457998182194070218566008404946552542330077454655026060487489178400753179298351588433970562806220648454522232913
| 2025-04-16T15:45:10
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.193387
| null | null | null | null |
CO_1315411771794235858985121
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true
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HNNi4OPdPt11
|
HNNi4OPdPt11
|
A11B4CDEF
|
[
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46,
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1,
7
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| 6
| 0
|
[
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0,
0
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[
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data/MD/2239/MD_4028144322349616297502239.json
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data/MD/0339/MD_7658857510982134959520339.json
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PO_9566422533973192785618958
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| 2025-04-16T16:25:53
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.571334
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CO_1330933392589915536507952
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[
true,
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true
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HCoNNi8OPt7
|
CoHNNi8OPt7
|
A8B7CDEF
|
[
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"N",
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"O",
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[
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78,
78,
28,
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27,
28,
8,
1,
7
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| 6
| 0
|
[
0,
0,
0
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[
"tinnet_N_51"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/1090/MD_5308043792959558273691090.json
| null |
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PO_9576839649121604300757017
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| 2025-04-16T20:22:20
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.862274
| null | null | null | null |
CO_1145424627213979297094435
|
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[
true,
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true
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HMoNOPt7Rh8
|
HMoNOPt7Rh8
|
A8B7CDEF
|
[
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"N",
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45,
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78,
45,
45,
78,
42,
45,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_0"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/8317/MD_7946187181265273740058317.json
| null |
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|
PO_3079661430278384553028185
|
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| 2025-04-17T17:45:49
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.356421
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CO_5132147814866462971346630
|
5132147814866462971346630522255286817422562662268651598232956645412150758730603094614227062703679111214607735248166019313700792158356113087373453366230700
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[
true,
true,
true
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HIrNOPd4Pt11
|
HIrNOPd4Pt11
|
A11B4CDEF
|
[
"H",
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"Pd",
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[
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78,
78,
78,
78,
46,
78,
77,
46,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_219"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/2283/MD_1244399120894152892942283.json
| null |
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|
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PO_9607232987061946112421451
|
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| 2025-04-16T16:44:56
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.414931
| null | null | null | null |
CO_5090373361872903880831882
|
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[
true,
true,
true
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HNOPd8Pt7Rh
|
HNOPd8Pt7Rh
|
A8B7CDEF
|
[
"H",
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"O",
"Pd",
"Pt",
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[
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78,
46,
46,
78,
78,
46,
46,
78,
45,
46,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_167"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/7621/MD_1054878320144088406587621.json
| null |
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|
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|
PO_9608513593378844618370671
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| 2025-04-17T18:37:27
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.604566
| null | null | null | null |
CO_9527219420273389333843397
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[
true,
true,
true
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HCo9NOPt7
|
Co9HNOPt7
|
A9B7CDE
|
[
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[
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78,
27,
27,
78,
27,
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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/5644/MD_1567837396038163667835644.json
| null |
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PO_3786287114458722180639035
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| 2025-04-16T15:14:08
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.545118
| null | null | null | null |
CO_1023971025695158070263733
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[
true,
true,
true
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HAu8NOPt7Ru
|
Au8HNOPt7Ru
|
A8B7CDEF
|
[
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"H",
"N",
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[
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79,
79,
78,
78,
79,
79,
78,
44,
79,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_157"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/7949/MD_4708529138030185386397949.json
| null |
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PO_3801407619821971603706859
|
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| 2025-04-16T18:47:30
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.81168
| null | null | null | null |
CO_9785219106766338576766980
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[
true,
true,
true
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HIrNOOs8Pt7
|
HIrNOOs8Pt7
|
A8B7CDEF
|
[
"H",
"Ir",
"N",
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"Os",
"Pt"
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[
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78,
76,
76,
78,
78,
76,
76,
78,
77,
76,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_133"
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data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/9982/MD_1187982493378459875169982.json
| null |
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|
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|
PO_9750332479905151043141327
|
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| 2025-04-17T18:06:06
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.968396
| null | null | null | null |
CO_1004215163913109048511357
|
10042151639131090485113570560059916736881336515877004115758316832372243211025871578979572560244523843669503224113574486611296786558394858034989503154743515
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[
true,
true,
true
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HNOPd9Pt7
|
HNOPd9Pt7
|
A9B7CDE
|
[
"H",
"N",
"O",
"Pd",
"Pt"
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[
0.05263157894736842,
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46,
78,
78,
46,
46,
78,
46,
46,
8,
1,
7
] | 19
| 5
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_137"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/0691/MD_2513426814214094908810691.json
| null |
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|
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PO_3819117704686615468067034
|
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| 2025-04-16T18:44:20
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.642614
| null | null | null | null |
CO_4158497245424733422522492
|
4158497245424733422522492486453642159573814408912704220566464602983757510077679861484579239394411739484306622250954754530458451539544572514987327141179445
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22.094499999999996
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] |
[
true,
true,
true
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HIr4NOPt12
|
HIr4NOPt12
|
A12B4CDE
|
[
"H",
"Ir",
"N",
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"Pt"
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[
0.05263157894736842,
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0.05263157894736842,
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77,
78,
78,
78,
78,
77,
78,
78,
77,
8,
1,
7
] | 19
| 5
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_292"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/9047/MD_6869993393996627942779047.json
| null |
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PO_3835108755166104591580786
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| 2025-04-16T15:45:08
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DS_ffsgl0wufoft_0
| 1
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VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.226026
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CO_1026209893713761820884229
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true
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HCu8NNiOPt7
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Cu8HNNiOPt7
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A8B7CDEF
|
[
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78,
78,
29,
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28,
29,
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/7883/MD_1286539078901102373777883.json
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PO_9845953495226570312688627
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| 2025-04-16T21:28:46
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -5.839169
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CO_1186298141630470931701795
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true
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HCrNOPt11Re4
|
CrHNOPt11Re4
|
A11B4CDEF
|
[
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78,
78,
75,
78,
24,
75,
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/6686/MD_6925741090138928725836686.json
| null |
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PO_9878550897084036038246969
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| 2025-04-16T19:57:28
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.796381
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CO_1059087672220539455556734
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[
true,
true,
true
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HCuNOPt11Rh4
|
CuHNOPt11Rh4
|
A11B4CDEF
|
[
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"H",
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[
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78,
78,
45,
78,
29,
45,
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/0311/MD_1159347628159176820410311.json
| null |
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PO_3931484745033170154110605
|
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| 2025-04-16T21:12:41
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.202158
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CO_1030899174067747846396845
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[
true,
true,
true
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HCo8NOPdPt7
|
Co8HNOPdPt7
|
A8B7CDEF
|
[
"Co",
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[
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27,
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46,
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8,
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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/0828/MD_6531409700228418679600828.json
| null |
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PO_3944398109766585708502765
|
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| 2025-04-16T15:45:08
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -4.922186
| null | null | null | null |
CO_3890680432231897418065209
|
3890680432231897418065209208272659516871570293088205713316452553168484449104313227207747831248286652240880142014192995807262214617399308829005151407921978
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[
true,
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true
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HNOPt7Rh8Ru
|
HNOPt7Rh8Ru
|
A8B7CDEF
|
[
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45,
45,
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44,
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8,
1,
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0,
0,
0
] |
[
"tinnet_N_65"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/3420/MD_1049532614357295362183420.json
| null |
{"id": "MD_1049532614357295362183420", "hash": "10495326143572953621834200169346565231867767756699043040174608636728477239356844472717686369057366738338233759570667664162304692354208769673059335538334039"}
|
{"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_3951199888008126502863429
|
3951199888008126502863429942593831578423808054422920699159204369567926238551075986372904903436324415900509246737022690056542682936587223729916295477232336
| 2025-04-16T21:43:25
|
DS_ffsgl0wufoft_0
| 1
|
VASP
|
rPBE
| null |
[] |
[] | null | null | null | null | -3.76012
| null | null | null | null |
CO_6461263514289639221279299
|
6461263514289639221279299050386951114950256073410583918665469317402786573481794717977279724547812614887817997972653217085656965323245405091610868318692055
|
13179538455842855671773133946977219392908767109281567381754136322044580428682519403677256133882199879830947460483692194894998763763524981416574860775896826
|
[
[
5.452583671686471,
0,
0
],
[
0,
5.452583671686471,
0
],
[
0,
0,
35.78333833385482
]
] |
[
[
1.3631459179216177,
1.3631459179216177,
15
],
[
4.089437753764853,
1.3631459179216177,
15
],
[
1.3631459179216177,
4.089437753764853,
15
],
[
4.089437753764853,
4.089437753764853,
15
],
[
0,
0,
16.927779444618274
],
[
2.7262918358432353,
0,
16.927779444618274
],
[
0,
2.7262918358432353,
16.927779444618274
],
[
2.7262918358432353,
2.7262918358432353,
16.927779444618274
],
[
1.3631459179216177,
1.3631459179216177,
18.855558889236548
],
[
4.089437753764853,
1.3631459179216177,
18.855558889236548
],
[
1.3631459179216177,
4.089437753764853,
18.855558889236548
],
[
4.089437753764853,
4.089437753764853,
18.855558889236548
],
[
0,
0,
20.78333833385482
],
[
2.7262918358432353,
0,
20.78333833385482
],
[
0,
2.7262918358432353,
20.78333833385482
],
[
2.7262918358432353,
2.7262918358432353,
20.78333833385482
],
[
0.1,
1.4631459179216177,
22.28333833385482
],
[
0.7293340650157999,
1.4631459179216177,
23.03334946677932
],
[
4.089437753764853,
4.089437753764853,
21.93333833385482
]
] |
[
true,
true,
true
] |
HCu8NOPdPt7
|
Cu8HNOPdPt7
|
A8B7CDEF
|
[
"Cu",
"H",
"N",
"O",
"Pd",
"Pt"
] |
[
0.42105263157894735,
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.05263157894736842,
0.3684210526315789
] |
[
29,
78,
78,
29,
29,
78,
78,
29,
29,
78,
78,
29,
29,
78,
46,
29,
8,
1,
7
] | 19
| 6
| 0
|
[
0,
0,
0
] |
[
"tinnet_N_166"
] | null |
data/MD/2239/MD_4028144322349616297502239.json
|
data/MD/5358/MD_4572343490312790379915358.json
| null |
{"id": "MD_4572343490312790379915358", "hash": "4572343490312790379915358284665407870215288553618648431277277553565050261228791029497820295975012812064387885849587549201102965968856321446840192022822696"}
|
{"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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