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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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Ba32
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data/MD/4357/MD_1024398629573454165794357.json
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| 2025-04-16T17:33:30
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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Au16V16
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AuV
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AB
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| 2
| 3
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
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PO_2458783134699441457187799
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| 2025-04-16T16:43:28
|
DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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C2HCu2FeKMgNaNiPdRuSi2VZn
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C2Cu2FeHKMgNaNiPdRuSi2VZn
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A2B2C2DEFGHIJKLM
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| 13
| 3
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9057477093947571028217385
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| 2025-04-16T21:38:17
|
DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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CO_2246327530377987703305536
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CrFMgPd
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ABCD
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9052889263953716401550912
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DS_vf8hkwxhibio_0
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Cl16Si16
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ClSi
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AB
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| 2
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9051068352647151830546621
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| 2025-04-17T18:37:27
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 8.164718
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CO_7067444213119420686437205
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F8Na8O8Ti8
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FNaOTi
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ABCD
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| 4
| 3
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[
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data/MD/4357/MD_1024398629573454165794357.json
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DS_vf8hkwxhibio_0
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_2477108582059398656545460
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| 2025-04-16T21:43:16
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
|
DFT-PBE
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CO_1311084771920824448395580
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true
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Ag2BaFFeIn2IrMoNNaORuSTiZn
|
Ag2BaFFeIn2IrMoNNaORuSTiZn
|
A2B2CDEFGHIJKLMN
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[
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"Fe",
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56,
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16,
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30,
44
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| 14
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_2487901383310432020910874
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| 2025-04-16T21:56:50
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
|
DFT-PBE
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[] | null | null | null | null | null | null | 4.972587
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CO_1111217589726982737358870
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[
true,
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true
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Co8Pd8Pt8S8
|
CoPdPtS
|
ABCD
|
[
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[
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16,
16,
16,
16,
16,
78,
78,
78,
78,
78,
78,
78,
78
] | 32
| 4
| 3
|
[
1,
1,
1
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[
"hme21_val_1064"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2470651783219186830047386
|
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| 2025-04-16T21:43:25
|
DS_vf8hkwxhibio_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -77.762717
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[
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[] | null | null | null | null | null | null | 5.345653
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CO_1303117451632015633302800
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[
true,
true,
true
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Al2Au2Co2Cr2In2P2Ru2Sc2
|
AlAuCoCrInPRuSc
|
ABCDEFGH
|
[
"Al",
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[
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79,
21,
21,
24,
24,
49,
49,
44,
44,
15,
15,
27,
27
] | 16
| 8
| 3
|
[
1,
1,
1
] |
[
"hme21_val_2367"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2472541347119583808484888
|
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| 2025-04-16T21:09:01
|
DS_vf8hkwxhibio_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -36.682472
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[
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[
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[] | null | null | null | null | null | null | 5.170414
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CO_1654074706638465360877867
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[
true,
true,
true
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BaCrNNiOPPtS
|
BaCrNNiOPPtS
|
ABCDEFGH
|
[
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[
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56,
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78,
28,
8,
24
] | 8
| 8
| 3
|
[
1,
1,
1
] |
[
"hme21_val_1438"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9082182158709703361088589
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| 2025-04-16T17:18:32
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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CH2AgAlBaCaClCo2CuInIrLiMnNNiPPb2PdPt2RhRu2S3ScSiZn
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AgAlBaCCaClCo2CuH2InIrLiMnNNiPPb2PdPt2RhRu2S3ScSiZn
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A3B2C2D2E2F2GHIJKLMNOPQRSTUVWXY
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[
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data/MD/4357/MD_1024398629573454165794357.json
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| 2025-04-16T15:42:27
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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CO_7880268357377870203800273
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H4Ba28
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Ba7H
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A7B
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_2491812339033594120980366
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| 2025-04-16T21:37:22
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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DS_vf8hkwxhibio_0
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DS_vf8hkwxhibio_0
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_2499450008845711331737425
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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[
0.26799115,
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1.1455627
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] |
[
true,
true,
true
] |
C4Al4Au2Ba2Fe2Mo2P2Ru2S2Si2Sn4Ti2V2
|
Al2AuBaC2FeMoPRuSSiSn2TiV
|
A2B2C2DEFGHIJKLM
|
[
"Al",
"Au",
"Ba",
"C",
"Fe",
"Mo",
"P",
"Ru",
"S",
"Si",
"Sn",
"Ti",
"V"
] |
[
0.125,
0.0625,
0.0625,
0.125,
0.0625,
0.0625,
0.0625,
0.0625,
0.0625,
0.0625,
0.125,
0.0625,
0.0625
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6,
6,
6,
50,
50,
50,
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13,
13,
13,
13,
15,
15,
44,
44,
26,
26,
56,
56,
14,
14,
16,
16,
22,
22,
23,
23,
42,
42,
79,
79
] | 32
| 13
| 3
|
[
1,
1,
1
] |
[
"hme21_val_1600"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2499703006715331459338815
|
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| 2025-04-16T21:51:46
|
DS_vf8hkwxhibio_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -112.826445
|
[
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[
4.51245823,
2.92744617,
1.26928105
]
] |
[] | null | null | null | null | null | null | 5.763651
| 2.518905
| null |
CO_3566853336227170915658148
|
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5.70972222
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[
5.90253752,
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8.44453342
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] |
[
true,
true,
true
] |
N4Sn28
|
NSn7
|
A7B
|
[
"N",
"Sn"
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[
0.125,
0.875
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[
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
7,
7,
7,
7
] | 32
| 2
| 3
|
[
1,
1,
1
] |
[
"hme21_val_1515"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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|
PO_9099534071058793206100758
|
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| 2025-04-16T21:22:14
|
DS_vf8hkwxhibio_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -27.128106
|
[
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[
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[
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0.0550955
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[
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0.07144086,
0.51505588
],
[
-1.66913697,
-0.76945644,
-2.36410789
]
] |
[] | null | null | null | null | null | null | 2.99451
| 1.206829
| null |
CO_1157737535081353180828524
|
11577375350813531808285246736435598729165731611851255792941981613689550834287449164763488536575850920533021375316419917023978589432919096803547896116520359
|
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|
[
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[
0,
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0
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[
0,
0,
8.8
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] |
[
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1.9914129,
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[
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[
2.00947094,
2.40803226,
5.75839977
],
[
8.6669161,
0.92823394,
3.88044747
]
] |
[
true,
true,
true
] |
AlCo3InLiNP
|
AlCo3InLiNP
|
A3BCDEF
|
[
"Al",
"Co",
"In",
"Li",
"N",
"P"
] |
[
0.125,
0.375,
0.125,
0.125,
0.125,
0.125
] |
[
13,
27,
27,
27,
49,
7,
3,
15
] | 8
| 6
| 3
|
[
1,
1,
1
] |
[
"hme21_val_408"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
|
PO_9101118274565763763719901
|
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| 2025-04-16T21:38:17
|
DS_vf8hkwxhibio_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -177.85764
|
[
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1.9724504,
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
0.61185879,
0.81673989,
0.19836052
],
[
-1.43774058,
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0.11006525
]
] |
[] | null | null | null | null | null | null | 6.224891
| 2.562875
| null |
CO_1039025152146211933424490
|
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|
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] |
[
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[
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[
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[
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[
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[
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[
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4.08933589
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[
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[
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[
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[
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[
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[
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5.05134054,
4.1826422
],
[
2.8141102,
4.08727458,
1.66486285
]
] |
[
true,
true,
true
] |
C4Cr28
|
CCr7
|
A7B
|
[
"C",
"Cr"
] |
[
0.125,
0.875
] |
[
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
6,
6,
6,
6
] | 32
| 2
| 3
|
[
1,
1,
1
] |
[
"hme21_val_1904"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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DS_vf8hkwxhibio_0
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DS_vf8hkwxhibio_0
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H2Ag2Cl2Cr2Cu2Fe2Mo2Na2Pb4Pd2S2Sc4Sn2Ti2
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AgClCrCuFeHMoNaPb2PdSSc2SnTi
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A2B2CDEFGHIJKLMN
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 4.118257
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CO_1257260008735166191574637
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Ca8Pb8
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CaPb
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AB
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[
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9956706034878623888141074
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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[] | null | null | null | null | null | null | 5.68671
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CO_1222538753951549303491731
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true
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H2Ca4Cl2Co2Cu2F2Ir2K2Pd2Rh2Ru2S2Sn4Ti2
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Ca2ClCoCuFHIrKPdRhRuSSn2Ti
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A2B2CDEFGHIJKLMN
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[
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77,
77
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| 14
| 3
|
[
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1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9956061747986739434445776
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| 2025-04-16T20:50:01
|
DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 6.432119
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CO_9079203039200234694874167
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Pb4Rh28
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PbRh7
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A7B
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DS_vf8hkwxhibio_0
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DS_vf8hkwxhibio_0
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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H16Ru16
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HRu
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AB
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_2527689966490543045545967
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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H4AlBaCaCu2F2LiMg2Mo2NaPPbPd2RuSc2Si3Ti2VZn2
|
AlBaCaCu2F2H4LiMg2Mo2NaPPbPd2RuSc2Si3Ti2VZn2
|
A4B3C2D2E2F2G2H2I2J2KLMNOPQRS
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| 19
| 3
|
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9966421490425133003432053
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| 2025-04-16T22:03:29
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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CO_9850830531199480056934310
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Ir28Ni4
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Ir7Ni
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A7B
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[
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| 2
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9972972874875308819209459
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| 2025-04-16T18:57:04
|
DS_vf8hkwxhibio_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -91.790318
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[
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[] | null | null | null | null | null | null | 6.875971
| 3.242571
| null |
CO_4077127225336241557615507
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true
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C2Ba2Mn2O2P2Pt4V2
|
BaCMnOPPt2V
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A2BCDEFG
|
[
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78,
25,
25,
23,
23,
6,
6,
8,
8
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| 7
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9964657955597143966329793
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 8.693673
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CO_9914369906985898789575555
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true,
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true
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Pb16Pt16
|
PbPt
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AB
|
[
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[
0.5,
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78,
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| 2
| 3
|
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1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2566144150140433035122980
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| 2025-04-16T15:18:43
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 3.595436
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CO_3534969789328805725299396
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[
true,
true,
true
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Ir8Rh16Ru8
|
IrRh2Ru
|
A2BC
|
[
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[
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| 3
| 3
|
[
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1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2561361362318224477420813
|
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| 2025-04-16T19:02:23
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DS_vf8hkwxhibio_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -105.707632
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Ag2AlBa2C2Cl3Co2Cr2F2FeHKLiMg4MnNaNiORhSiSnV
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[
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data/MD/4357/MD_1024398629573454165794357.json
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DS_vf8hkwxhibio_0
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AgAlCu2IrK2NNa2PtRh2ScTi2
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[
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data/MD/4357/MD_1024398629573454165794357.json
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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CO_7446409581211663519628091
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Sn16Ti16
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AB
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data/MD/4357/MD_1024398629573454165794357.json
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PO_2546281835895727104263326
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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CO_1278107121638853141327157
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data/MD/4357/MD_1024398629573454165794357.json
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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Fe32
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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data/MD/4357/MD_1024398629573454165794357.json
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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AB
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9989079291822456813789516
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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H4V28
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HV7
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A7B
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9975319743854320528150226
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| 2025-04-16T17:50:49
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 10.909224
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N28P4
|
N7P
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A7B
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| 2
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9982562837015808826072740
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| 2025-04-16T17:41:42
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
| -66.551289
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[] | null | null | null | null | null | null | 3.401689
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CO_4038004013371957810369769
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data/MD/4357/MD_1024398629573454165794357.json
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DS_vf8hkwxhibio_0
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CO_2067885475376525052129290
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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Pb28Rh4
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Pb7Rh
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A7B
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9979860250851202659290869
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 4.308269
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CO_3873776350690075618264309
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Co16Na16
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CoNa
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AB
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9983163567484098909910849
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| 2025-04-16T20:08:38
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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CO_2027840254135409572140757
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Fe8P16Ru8
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FeP2Ru
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A2BC
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[
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2585255462718503607211030
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| 2025-04-16T21:43:16
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 9.297649
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CO_1132766952067241098437923
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Ba16F16
|
BaF
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AB
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| 2
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2585288550987877597371953
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| 2025-04-17T17:45:49
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
| -143.204144
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Mo28Pb4
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Mo7Pb
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A7B
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data/MD/4357/MD_1024398629573454165794357.json
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DS_vf8hkwxhibio_0
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[
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data/MD/4357/MD_1024398629573454165794357.json
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| 2025-04-16T19:07:41
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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AB
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_2575502429475620984644801
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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DS_vf8hkwxhibio_0
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data/MD/4357/MD_1024398629573454165794357.json
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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AlBa2ClCo5CuFFeInLiNaNi3O3PPb3PdRuScSnTiZn2
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A5B3C3D3E2F2GHIJKLMNOPQRST
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[
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data/MD/4357/MD_1024398629573454165794357.json
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| 2025-04-16T16:08:33
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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IrKNNiRhSnTiV
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IrKNNiRhSnTiV
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ABCDEFGH
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| 8
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9146332150123307745402144
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| 2025-04-16T15:43:19
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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Co8Cu8Ni8Sc8
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CoCuNiSc
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ABCD
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2621714476411469009449506
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| 2025-04-16T17:21:42
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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C2CaCl2CrFeIrLiMg2MoNNa4O2PPb2PdPt2Rh3ScSiSnZn
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data/MD/4357/MD_1024398629573454165794357.json
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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CBaNa2OPtRhV
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BaCNa2OPtRhV
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A2BCDEFG
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_2618932396176988917545637
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| 2025-04-17T18:06:06
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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[
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true
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Au32
|
Au
|
A
|
[
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| 1
| 3
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[
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1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2610239012005790350795168
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| 2025-04-16T21:57:13
|
DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
|
DFT-PBE
| -24.219329
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[
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[] | null | null | null | null | null | null | 3.026451
| 1.692994
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CO_9642449859626838204882655
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true
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CuFeIrLiNRhSiZn
|
CuFeIrLiNRhSiZn
|
ABCDEFGH
|
[
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[
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77,
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26
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| 8
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9150803176003480150796818
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| 2025-04-16T19:49:42
|
DS_vf8hkwxhibio_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| 21.286991
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[
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Ba28Cu4
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Ba7Cu
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A7B
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DS_vf8hkwxhibio_0
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CO_1005767163458344569549006
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HAuCaClCu2F2Fe2InIrMgMnNaNi6PbPd2Pt2RuS2SiTi2
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AuCaClCu2F2Fe2HInIrMgMnNaNi6PbPd2Pt2RuS2SiTi2
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A6B2C2D2E2F2G2H2IJKLMNOPQRST
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9128033656506906131179600
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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CO_8029513253675766220621068
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Co16Si16
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CoSi
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AB
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Ag3Al2AuBaCl3CrFe3K2Mg3NiOPdPtRh2Sc2Si2VZn2
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Ag3Al2AuBaCl3CrFe3K2Mg3NiOPdPtRh2Sc2Si2VZn2
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A3B3C3D3E2F2G2H2I2J2KLMNOPQR
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[
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data/MD/4357/MD_1024398629573454165794357.json
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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Ag2Al2Cl2Co2Cu2Ir4Li4Mn2Pb2Ru2S2Sc2Sn4
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AgAlClCoCuIr2Li2MnPbRuSScSn2
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A2B2C2DEFGHIJKLM
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_2638327475484951242706819
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| 2025-04-16T18:49:16
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 6.280142
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CO_1077851877761057732063266
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true
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C2H2AlAu3Ba3CaCl2CoInIrMnNiO2PPbPtRhRu2Sc4Sn
|
AlAu3Ba3C2CaCl2CoH2InIrMnNiO2PPbPtRhRu2Sc4Sn
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A4B3C3D2E2F2G2H2IJKLMNOPQRST
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| 20
| 3
|
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2639660204419777254741382
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| 2025-04-16T16:45:12
|
DS_vf8hkwxhibio_0
| 1
|
VASP 5.4.4
|
DFT-PBE
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Ag16Li16
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AB
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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CrPbPtRuScSnTiV
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CrPbPtRuScSnTiV
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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CHAgAlAuCa3Co2FFeK3LiMoN2NaP3PtRu3SSiTiV2
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AgAlAuCCa3Co2FFeHK3LiMoN2NaP3PtRu3SSiTiV2
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A3B3C3D3E2F2G2HIJKLMNOPQRSTU
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| 21
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_9180057007119143136114890
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| 2025-04-16T20:56:28
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 3.634066
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CO_3187341915000096331223376
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true
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HAuClMgNaPPdRh
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AuClHMgNaPPdRh
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ABCDEFGH
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| 8
| 3
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2652595470248033627930398
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| 2025-04-16T17:09:36
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
| -201.655905
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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Fe10O20
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FeO2
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[
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data/MD/4357/MD_1024398629573454165794357.json
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| 2025-04-16T15:18:28
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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CO_9156092221765709439626644
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Cr16P16
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CrP
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AB
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data/MD/4357/MD_1024398629573454165794357.json
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PO_2659368791722213734707397
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| 2025-04-16T21:21:56
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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AuCrCuKNORhZn
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AuCrCuKNORhZn
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ABCDEFGH
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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CuInNNiPtSScV
|
CuInNNiPtSScV
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ABCDEFGH
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[
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| 3
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[
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1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
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| 2025-04-17T17:35:57
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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true,
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true
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CAl3Au2ClCoF2In2KMn2Mo3NNaOPb2PtRh3SScSn2V
|
Al3Au2CClCoF2In2KMn2Mo3NNaOPb2PtRh3SScSn2V
|
A3B3C3D2E2F2G2H2I2JKLMNOPQRST
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21,
19
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| 20
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9189110577260840259708184
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| 2025-04-16T17:20:23
|
DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
|
DFT-PBE
| -138.51234
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[] | null | null | null | null | null | null | 6.011809
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CO_3585074030095036237518150
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true
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Co4Si28
|
CoSi7
|
A7B
|
[
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[
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| 2
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[
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1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9188631656132453138627798
|
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| 2025-04-16T15:43:22
|
DS_vf8hkwxhibio_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -147.059811
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[
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[] | null | null | null | null | null | null | 6.359511
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CO_1168827784786332263259299
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true
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H2Ba2Cl4Co2Fe2K2Mo2N2Pb2Pd2Ru2S2Si2Ti4
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BaCl2CoFeHKMoNPbPdRuSSiTi2
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A2B2CDEFGHIJKLMN
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19
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| 14
| 3
|
[
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1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9192835849228666552595035
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 10.209197
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CO_3744713096834460744333469
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true
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Au8Ba8O8Ru8
|
AuBaORu
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ABCD
|
[
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[
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44,
44,
44,
44,
44,
44,
44,
44
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| 4
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2694647793740625699313113
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| 2025-04-16T20:12:06
|
DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 10.220739
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CO_4440797936606685294338648
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true
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Ni16Ru16
|
NiRu
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AB
|
[
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44,
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| 2
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[
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data/MD/4357/MD_1024398629573454165794357.json
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DS_vf8hkwxhibio_0
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DS_vf8hkwxhibio_0
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data/MD/4357/MD_1024398629573454165794357.json
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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C8Mo8N8Na8
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CMoNNa
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ABCD
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[
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data/MD/4357/MD_1024398629573454165794357.json
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DS_vf8hkwxhibio_0
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VASP 5.4.4
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DFT-PBE
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C2H2Co2In2Ir2K2Mn2Mo2Ni2P2Pb2Pt4Rh2S4
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CCoHInIrKMnMoNiPPbPt2RhS2
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A2B2CDEFGHIJKLMN
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[
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data/MD/4357/MD_1024398629573454165794357.json
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| 2025-04-16T16:20:57
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 10.595277
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CO_3904328314480789682011129
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C2Au2Cl2Cr2Cu2In2K2N2Na2O2Pd4Sc2Si2Sn2Zn2
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AuCClCrCuInKNNaOPd2ScSiSnZn
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A2BCDEFGHIJKLMNO
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| 15
| 3
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9211904876946520168710968
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| 2025-04-16T17:49:49
|
DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
| -21.747106
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[
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[] | null | null | null | null | null | null | 1.744623
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CO_5859788156071586303311137
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true,
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true
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CAgInNiSSi2Ti
|
AgCInNiSSi2Ti
|
A2BCDEFG
|
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49
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| 7
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9211750342882253636844559
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| 2025-04-16T21:38:17
|
DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
| -158.205504
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CO_9255748563420511570576672
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true
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Pd16V16
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PdV
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AB
|
[
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_9209076019709420732388366
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| 2025-04-16T17:55:11
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 3.514856
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AlClFPbPd2PtSn
|
AlClFPbPd2PtSn
|
A2BCDEFG
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[
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| 3
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2674081224323824422237724
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| 2025-04-16T20:58:52
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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CO_9568533583987571766651948
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true,
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true
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Sc16Zn16
|
ScZn
|
AB
|
[
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[
0.5,
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| 2
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[
1,
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_2680875946400869163837615
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| 2025-04-16T17:29:32
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DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
| -13.769179
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[] | null | null | null | null | null | null | 4.051175
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CO_2064827201389193452390508
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[
true,
true,
true
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Na32
|
Na
|
A
|
[
"Na"
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1
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11,
11,
11
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| 1
| 3
|
[
1,
1,
1
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[
"hme21_val_664"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
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PO_2676868118546028073495978
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| 2025-04-16T16:54:22
|
DS_vf8hkwxhibio_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 4.23156
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CO_4814471514426879743758984
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true
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Ag8Fe8Mo16
|
AgFeMo2
|
A2BC
|
[
"Ag",
"Fe",
"Mo"
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[
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47,
47,
47
] | 32
| 3
| 3
|
[
1,
1,
1
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[
"hme21_val_571"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
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PO_9229943322103050328952815
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| 2025-04-16T21:37:17
|
DS_vf8hkwxhibio_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -127.00538
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[] | null | null | null | null | null | null | 7.88965
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CO_5915251632464969603917923
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[
true,
true,
true
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HAl3Au2BaCoCuFe2IrK2Li4Mg2NOPPdPt3Ru3ScV
|
Al3Au2BaCoCuFe2HIrK2Li4Mg2NOPPdPt3Ru3ScV
|
A4B3C3D3E2F2G2H2IJKLMNOPQRS
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[
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| 19
| 3
|
[
1,
1,
1
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[
"hme21_val_1258"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
|
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