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DS_hrt0twm503tr_0
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VASP
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DFT-PBE
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unknown
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C26H30Au4F12N12P2
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Au2C13F6H15N6P
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A15B13C6D6E2F
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data/MD/1373/MD_1805345309678038649141373.json
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data/MD/5332/MD_6104122979733020884675332.json
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PO_1003928668064005322724960
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| 2025-04-16T20:11:56
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DS_hrt0twm503tr_0
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VASP
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DFT-PBE
| null |
[] |
[] | null | 4.263775
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unknown
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CO_1020902849416549489884011
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C8H16Br16
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Br2CH2
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A2B2C
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PO_1004147741680542652151231
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| 2025-04-16T21:13:40
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DS_hrt0twm503tr_0
| 1
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VASP
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DFT-PBE
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[] |
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unknown
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DS_hrt0twm503tr_0
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DS_hrt0twm503tr_0
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VASP
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DFT-PBE
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[] |
[] | null | 2.057407
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unknown
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CO_1034362373977064578147126
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DS_hrt0twm503tr_0
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VASP
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DFT-PBE
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[] |
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unknown
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DS_hrt0twm503tr_0
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VASP
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DFT-PBE
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[] |
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unknown
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DS_hrt0twm503tr_0
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DS_hrt0twm503tr_0
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DS_hrt0twm503tr_0
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DFT-PBE
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CO_5851984897760879117541603
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C28H20Br4Fe4Ga4I4O8
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BrC7FeGaH5IO2
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A7B5C2DEFG
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data/MD/1714/MD_6557871892736345145081714.json
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DS_hrt0twm503tr_0
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VASP
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DFT-PBE
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[] |
[] | null | 2.321804
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unknown
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CO_8599532029216263912660375
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C50H46N8O2P4Rh2
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C25H23N4OP2Rh
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A25B23C4D2EF
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data/MD/1373/MD_1805345309678038649141373.json
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PO_4964306382087622563795633
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| 2025-04-16T16:32:13
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DS_hrt0twm503tr_0
| 1
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VASP
|
DFT-PBE
| null |
[] |
[] | null | 3.327537
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unknown
| null | null | null | null | null | null |
CO_8263386560950196554368486
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DS_hrt0twm503tr_0
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VASP
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DFT-PBE
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[] |
[] | null | 3.154731
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unknown
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C9H10O6
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A10B9C6
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PO_4932484319928145307807024
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DS_hrt0twm503tr_0
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VASP
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DFT-PBE
| null |
[] |
[] | null | 4.743059
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unknown
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CO_6951519648097899574756768
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DS_hrt0twm503tr_0
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C32H48N8O8
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C4H6NO
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A6B4CD
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PO_4940466284259399204413002
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DS_hrt0twm503tr_0
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VASP
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DFT-PBE
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[] |
[] | null | 2.857159
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unknown
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C34H54Cl4Ir2N4
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C17Cl2H27IrN2
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A27B17C2D2E
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PO_4940780222091895728140581
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| 2025-04-16T16:51:20
|
DS_hrt0twm503tr_0
| 1
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VASP
|
DFT-PBE
| null |
[] |
[] | null | 3.491261
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unknown
| null | null | null | null | null | null |
CO_6983110669225080255894415
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DS_hrt0twm503tr_0
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DFT-PBE
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DS_hrt0twm503tr_0
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DFT-PBE
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DS_hrt0twm503tr_0
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DS_hrt0twm503tr_0
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DFT-PBE
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C4H8B44Cl44
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PO_4943273485479324660182822
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| 2025-04-16T17:44:01
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DS_hrt0twm503tr_0
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VASP
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DFT-PBE
| null |
[] |
[] | null | 2.759679
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unknown
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CO_7669701033971302285154422
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DS_hrt0twm503tr_0
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DS_hrt0twm503tr_0
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VASP
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DFT-PBE
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DS_hrt0twm503tr_0
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DFT-PBE
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DS_hrt0twm503tr_0
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DFT-PBE
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CO_4545334550559336067705812
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DS_hrt0twm503tr_0
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DS_hrt0twm503tr_0
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DS_hrt0twm503tr_0
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DS_hrt0twm503tr_0
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VASP
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DFT-PBE
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[] |
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unknown
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DS_hrt0twm503tr_0
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DS_hrt0twm503tr_0
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DFT-PBE
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DS_hrt0twm503tr_0
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VASP
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DFT-PBE
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[] |
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unknown
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DS_hrt0twm503tr_0
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DFT-PBE
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unknown
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DS_hrt0twm503tr_0
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DFT-PBE
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DS_hrt0twm503tr_0
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VASP
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DFT-PBE
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[] |
[] | null | 3.280536
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unknown
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PO_1008959658373879658303998
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| 2025-04-16T17:18:29
|
DS_hrt0twm503tr_0
| 1
|
VASP
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DFT-PBE
| null |
[] |
[] | null | 4.513292
|
unknown
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DS_hrt0twm503tr_0
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DFT-PBE
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[] |
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unknown
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DS_hrt0twm503tr_0
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DFT-PBE
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unknown
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DS_hrt0twm503tr_0
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VASP
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DFT-PBE
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[] |
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DS_hrt0twm503tr_0
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DFT-PBE
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DS_hrt0twm503tr_0
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DS_hrt0twm503tr_0
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DFT-PBE
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DS_hrt0twm503tr_0
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DS_hrt0twm503tr_0
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DFT-PBE
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PO_1007283197238861608954971
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DS_hrt0twm503tr_0
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VASP
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DFT-PBE
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[] |
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unknown
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C48H48O8
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| 2025-04-16T16:28:45
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DS_hrt0twm503tr_0
| 1
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VASP
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DFT-PBE
| null |
[] |
[] | null | 5.360984
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unknown
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CO_1976761772802886181870870
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data/MD/1373/MD_1805345309678038649141373.json
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data/MD/5062/MD_8795867979789601617925062.json
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| 2025-04-16T21:43:25
|
DS_hrt0twm503tr_0
| 1
|
VASP
|
DFT-PBE
| null |
[] |
[] | null | 2.179888
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unknown
| null | null | null | null | null | null |
CO_3587551625489728587225496
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C30H24O6
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C5H4O
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A5B4C
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[
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data/MD/1373/MD_1805345309678038649141373.json
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data/MD/7683/MD_1170824421121265812497683.json
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PO_4999161234900647588055822
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| 2025-04-16T16:28:43
|
DS_hrt0twm503tr_0
| 1
|
VASP
|
DFT-PBE
| null |
[] |
[] | null | 4.907922
|
unknown
| null | null | null | null | null | null |
CO_1088347029350605753922326
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C18H34N2O4
|
C9H17NO2
|
A17B9C2D
|
[
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| 4
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[
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data/MD/1373/MD_1805345309678038649141373.json
|
data/MD/5884/MD_9834948067683993022975884.json
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PO_4989943571937762182200279
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| 2025-04-16T15:43:51
|
DS_hrt0twm503tr_0
| 1
|
VASP
|
DFT-PBE
| null |
[] |
[] | null | 4.012337
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unknown
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DS_hrt0twm503tr_0
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VASP
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DFT-PBE
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[] |
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unknown
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C44H44Cl2N2O8
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C22ClH22NO4
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A22B22C4DE
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DS_hrt0twm503tr_0
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VASP
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DFT-PBE
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[] |
[] | null | 2.433299
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unknown
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CO_8801569741910166695320026
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DS_hrt0twm503tr_0
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DFT-PBE
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[] |
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DS_hrt0twm503tr_0
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DFT-PBE
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DS_hrt0twm503tr_0
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VASP
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DFT-PBE
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[] |
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unknown
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DS_hrt0twm503tr_0
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DS_hrt0twm503tr_0
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DFT-PBE
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DS_hrt0twm503tr_0
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DFT-PBE
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DS_hrt0twm503tr_0
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DS_hrt0twm503tr_0
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DFT-PBE
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[] |
[] | null | 4.118149
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unknown
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CO_2774799659342113304924449
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4983461665861448121189637436265082531089619686067092898872833654126048077799382650889156348964229653841686934087288940475563177694721114885970752022948902
| 2025-04-16T16:29:11
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DS_hrt0twm503tr_0
| 1
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VASP
|
DFT-PBE
| null |
[] |
[] | null | 2.655312
|
unknown
| null | null | null | null | null | null |
CO_1291969390456554878514794
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C46H36N4O8
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C23H18N2O4
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A23B18C4D2
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data/MD/1373/MD_1805345309678038649141373.json
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PO_4983393052851932034050505
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| 2025-04-16T21:43:25
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DS_hrt0twm503tr_0
| 1
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VASP
|
DFT-PBE
| null |
[] |
[] | null | 2.374156
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unknown
| null | null | null | null | null | null |
CO_5554068682498012991754862
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C44H44Br4
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BrC11H11
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A11B11C
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| 2025-04-16T18:47:56
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DS_hrt0twm503tr_0
| 1
|
VASP
|
DFT-PBE
| null |
[] |
[] | null | 2.614276
|
unknown
| null | null | null | null | null | null |
CO_4412460234638851384798981
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data/MD/1373/MD_1805345309678038649141373.json
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| 2025-04-16T15:42:55
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DS_hrt0twm503tr_0
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VASP
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DFT-PBE
| null |
[] |
[] | null | 3.041775
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unknown
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DS_hrt0twm503tr_0
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DS_hrt0twm503tr_0
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