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DS_70btumen3361_0
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VASP
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DFT-PBE
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Al3O4
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A4B3
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PO_1000985244552219377038424
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DS_70btumen3361_0
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | 5.008281
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Al12O14
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Al6O7
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A7B6
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[
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data/MD/5295/MD_6006060475312946846645295.json
| null | null | null |
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PO_1000952822849614506652861
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| 2025-04-16T18:52:40
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | 6.458863
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Al12O16
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Al3O4
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A4B3
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data/MD/5295/MD_6006060475312946846645295.json
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PO_1000906895079032012731714
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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Al24O28
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Al6O7
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A7B6
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DS_70btumen3361_0
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DFT-PBE
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Al12O12
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AlO
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AB
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PO_1000958809255373451601892
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DS_70btumen3361_0
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VASP
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DFT-PBE
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Al12O18
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Al2O3
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A3B2
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data/MD/5295/MD_6006060475312946846645295.json
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PO_1001097550661703560068886
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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DS_70btumen3361_0
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DS_70btumen3361_0
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A3B2
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DS_70btumen3361_0
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Al12O16
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Al3O4
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DS_70btumen3361_0
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VASP
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Al12O16
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Al3O4
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A4B3
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DS_70btumen3361_0
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VASP
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DFT-PBE
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Al12O16
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Al3O4
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A4B3
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DS_70btumen3361_0
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VASP
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Al12O18
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Al2O3
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A3B2
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PO_1001033322717712030059982
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DS_70btumen3361_0
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VASP
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DFT-PBE
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Al12O18
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Al2O3
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A3B2
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PO_1001018003693229375256624
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DS_70btumen3361_0
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VASP
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DFT-PBE
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Al12O16
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Al3O4
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A4B3
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DS_70btumen3361_0
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VASP
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Al3O4
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A4B3
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DS_70btumen3361_0
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Al12O18
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Al2O3
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A3B2
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DS_70btumen3361_0
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VASP
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DFT-PBE
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Al12O12
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AlO
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AB
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PO_1001185079540394683025325
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DS_70btumen3361_0
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VASP
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DFT-PBE
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Al2O3
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A3B2
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DS_70btumen3361_0
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Al12O16
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Al3O4
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A4B3
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DS_70btumen3361_0
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VASP
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Al12O12
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AlO
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AB
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PO_1001193169641576592795832
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DS_70btumen3361_0
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VASP
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DFT-PBE
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Al12O14
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Al6O7
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| 2025-04-16T16:28:54
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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Al24O28
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Al6O7
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A7B6
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PO_1001219271279525592145209
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| 2025-04-16T16:23:19
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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Al12O18
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Al2O3
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A3B2
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| 2025-04-16T17:49:42
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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| 2025-04-16T17:03:14
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | 9.941971
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CO_4934318055422381764699588
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true
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Al12O12
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AlO
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AB
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data/MD/5295/MD_6006060475312946846645295.json
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PO_1001256690155364979208018
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| 2025-04-16T17:08:25
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | 13.411397
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CO_7673019045143277900005215
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Al12O16
|
Al3O4
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A4B3
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[
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data/MD/5295/MD_6006060475312946846645295.json
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PO_1001225842208096700488135
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| 2025-04-16T19:56:50
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | 6.807891
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CO_1061308389632982493275681
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Al12O14
|
Al6O7
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A7B6
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[
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data/MD/5295/MD_6006060475312946846645295.json
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PO_1001235918675249306787170
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| 2025-04-17T18:37:27
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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CO_1252471090272186627270918
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A3B2
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DS_70btumen3361_0
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Al12O14
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Al6O7
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A7B6
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PO_1001299785076344939834619
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DS_70btumen3361_0
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VASP
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Al12O14
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Al6O7
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A7B6
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PO_1001386462995514599992399
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DS_70btumen3361_0
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VASP
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DFT-PBE
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Al12O18
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Al2O3
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A3B2
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DS_70btumen3361_0
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VASP
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DFT-PBE
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Al24O28
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Al6O7
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A7B6
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DS_70btumen3361_0
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VASP
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DS_70btumen3361_0
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VASP
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DFT-PBE
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Al12O14
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Al6O7
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A7B6
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PO_1001331986352324971388658
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DS_70btumen3361_0
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DFT-PBE
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Al12O12
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AlO
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AB
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PO_1001343410383254461804903
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| 2025-04-17T17:56:16
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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CO_1051210003637355207334290
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Al12O24
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AlO2
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A2B
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data/MD/5295/MD_6006060475312946846645295.json
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PO_1001419892439467016639909
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DS_70btumen3361_0
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VASP
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DFT-PBE
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A3B2
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DS_70btumen3361_0
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A3B2
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DS_70btumen3361_0
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Al12O16
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Al3O4
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A4B3
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PO_1001460669527328828315370
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DS_70btumen3361_0
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VASP
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DFT-PBE
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DS_70btumen3361_0
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Al12O12
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DS_70btumen3361_0
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DS_70btumen3361_0
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A3B2
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DS_70btumen3361_0
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Al12O14
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Al6O7
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A7B6
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PO_1001592724961143462973177
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DS_70btumen3361_0
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VASP
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DFT-PBE
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Al12O18
|
Al2O3
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A3B2
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PO_1001526425581302996650759
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | 9.821212
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CO_1035778023275158605567682
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Al12O12
|
AlO
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AB
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[
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data/MD/5295/MD_6006060475312946846645295.json
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PO_1001582191080107650035289
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| 2025-04-16T20:26:39
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | 3.831841
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CO_1965312988135551521406356
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Al12O16
|
Al3O4
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A4B3
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data/MD/5295/MD_6006060475312946846645295.json
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PO_1001552722121124396509770
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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DS_70btumen3361_0
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DS_70btumen3361_0
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Al12O18
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Al2O3
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A3B2
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PO_1001592001518286535160626
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| 2025-04-16T17:03:14
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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Al24O28
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Al6O7
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A7B6
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PO_1001638368059887299553745
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| 2025-04-16T21:43:25
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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Al12O18
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Al2O3
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A3B2
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PO_1001680821809746013924422
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DS_70btumen3361_0
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VASP
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DFT-PBE
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Al12O12
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AlO
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AB
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data/MD/5295/MD_6006060475312946846645295.json
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PO_1001682003326255354360548
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| 2025-04-16T18:41:56
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DS_70btumen3361_0
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | 8.36105
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Al12O18
|
Al2O3
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A3B2
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[
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PO_1001696777962524645884003
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| 2025-04-16T21:43:16
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | 15.668344
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CO_4474284455624191741266671
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Al12O14
|
Al6O7
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A7B6
|
[
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[
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[
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data/MD/5295/MD_6006060475312946846645295.json
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PO_1001661470875782221065867
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| 2025-04-16T17:21:07
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | 6.187978
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CO_1277573762793170415012502
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Al4O7
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DS_70btumen3361_0
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Al12O18
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Al2O3
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A3B2
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DS_70btumen3361_0
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Al12O12
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AlO
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AB
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PO_1002454991178621278458882
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DS_70btumen3361_0
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DFT-PBE
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DS_70btumen3361_0
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DS_70btumen3361_0
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Al12O16
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DS_70btumen3361_0
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DS_70btumen3361_0
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DS_70btumen3361_0
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VASP
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DFT-PBE
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Al2O3
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A3B2
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DS_70btumen3361_0
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VASP
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DS_70btumen3361_0
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VASP
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DS_70btumen3361_0
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VASP
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DFT-PBE
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DS_70btumen3361_0
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DS_70btumen3361_0
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Al12O14
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Al6O7
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A7B6
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DS_70btumen3361_0
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Al12O14
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Al6O7
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A7B6
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DS_70btumen3361_0
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VASP
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DFT-PBE
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DS_70btumen3361_0
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DS_70btumen3361_0
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Al3O4
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A4B3
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DS_70btumen3361_0
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Al12O16
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Al3O4
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A4B3
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DS_70btumen3361_0
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VASP
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Al12O14
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Al6O7
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A7B6
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PO_1002626229417226500705173
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DS_70btumen3361_0
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VASP
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DFT-PBE
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Al12O18
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Al2O3
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A3B2
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PO_1002665071989857228643303
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DS_70btumen3361_0
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VASP
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DFT-PBE
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Al12O16
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Al3O4
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A4B3
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PO_1002736764859140011737179
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | 8.175399
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Al12O12
|
AlO
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AB
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PO_1002727121066903077945053
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| 2025-04-16T20:04:36
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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CO_3675783341149695425438000
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Al12O14
|
Al6O7
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A7B6
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[
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data/MD/5295/MD_6006060475312946846645295.json
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PO_1002703036425211869624591
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DS_70btumen3361_0
| 1
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VASP
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DFT-PBE
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Al2O3
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A3B2
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A4B3
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DS_70btumen3361_0
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VASP
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Al12O18
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Al2O3
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A3B2
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DS_70btumen3361_0
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VASP
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DFT-PBE
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DS_70btumen3361_0
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[] | null | null | null | null | null | null | 9.723566
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CO_8556888632220264316518427
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[
true,
true,
true
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Al24O32
|
Al3O4
|
A4B3
|
[
"Al",
"O"
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[
0.42857142857142855,
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13,
13,
13,
13,
13,
13,
13,
13,
13,
13
] | 56
| 2
| 0
|
[
0,
0,
0
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[
"additional_79940"
] | null |
data/MD/5295/MD_6006060475312946846645295.json
| null | null | null |
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|
PO_1002821054313075348421457
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| 2025-04-16T15:42:55
|
DS_70btumen3361_0
| 1
|
VASP
|
DFT-PBE
| -165.716002
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[] | null | null | null | null | null | null | 9.344655
| 3.673854
| null |
CO_1116818146289791388627579
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[
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[
true,
true,
true
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Al12O14
|
Al6O7
|
A7B6
|
[
"Al",
"O"
] |
[
0.46153846153846156,
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13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13
] | 26
| 2
| 0
|
[
0,
0,
0
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[
"additional_2609"
] | null |
data/MD/5295/MD_6006060475312946846645295.json
| null | null | null |
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|
PO_1002818651971289747621779
|
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| 2025-04-16T18:33:21
|
DS_70btumen3361_0
| 1
|
VASP
|
DFT-PBE
| -217.398485
|
[
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[
-0.59142,
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[] | null | null | null | null | null | null | 4.184234
| 1.980775
| null |
CO_1026622537231373777656987
|
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[
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[
true,
true,
true
] |
Al12O18
|
Al2O3
|
A3B2
|
[
"Al",
"O"
] |
[
0.4,
0.6
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[
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8,
8,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13
] | 30
| 2
| 0
|
[
0,
0,
0
] |
[
"additional_6022"
] | null |
data/MD/5295/MD_6006060475312946846645295.json
| null | null | null |
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|
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