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DS_t8goqf2uglhj_0
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DFT-PBE+U
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A23B8C8
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1002201907513165227438015
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| 2025-04-16T21:22:14
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DS_t8goqf2uglhj_0
| 1
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Quantum ESPRESSO
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DFT-PBE+U
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DS_t8goqf2uglhj_0
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DS_t8goqf2uglhj_0
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DFT-PBE+U
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DFT-PBE+U
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La8Mn8O23
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A23B8C8
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DS_t8goqf2uglhj_0
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DS_t8goqf2uglhj_0
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DS_t8goqf2uglhj_0
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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La8Mn8O23
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La8Mn8O23
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A23B8C8
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DFT-PBE+U
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DFT-PBE+U
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| 2025-04-16T16:56:16
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DS_t8goqf2uglhj_0
| 1
|
Quantum ESPRESSO
|
DFT-PBE+U
| -44,553.401249
|
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[
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La8Mn8O24
|
LaMnO3
|
A3BC
|
[
"La",
"Mn",
"O"
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[
0.2,
0.2,
0.6
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[
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57,
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57,
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57
] | 40
| 3
| 3
|
[
1,
1,
1
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[
"paper_LMO_VO__stoichiometric__epitaxial__AFM__2"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4965040489012876393673076
|
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| 2025-04-16T15:14:06
|
DS_t8goqf2uglhj_0
| 1
|
Quantum ESPRESSO
|
DFT-PBE+U
| -44,124.469638
|
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[
true,
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La8Mn8O23
|
La8Mn8O23
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DFT-PBE+U
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DFT-PBE+U
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DFT-PBE+U
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DS_t8goqf2uglhj_0
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LaMnO3
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DS_t8goqf2uglhj_0
| 1
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Quantum ESPRESSO
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DFT-PBE+U
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DS_t8goqf2uglhj_0
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La8Mn8O23
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DFT-PBE+U
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DS_t8goqf2uglhj_0
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DFT-PBE+U
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DS_t8goqf2uglhj_0
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data/MD/5202/MD_1086845055867124744315202.json
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DFT-PBE+U
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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La8Mn8O23
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A23B8C8
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DFT-PBE+U
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DS_t8goqf2uglhj_0
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Quantum ESPRESSO
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DFT-PBE+U
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10126750670333332918819325217971300162422212045914558171484459805646822671128508479419410104633383907906402534250088540350652896655605882122513093102103786
| 2025-04-16T21:13:40
|
DS_t8goqf2uglhj_0
| 1
|
Quantum ESPRESSO
|
DFT-PBE+U
| -44,138.207258
|
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La8Mn8O23
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La8Mn8O23
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A23B8C8
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1012789813127004544134800
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| 2025-04-16T17:27:47
|
DS_t8goqf2uglhj_0
| 1
|
Quantum ESPRESSO
|
DFT-PBE+U
| -44,552.972977
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