Configuration Set
Hydrogen-induced_insulating_state_SmNiO3_2H_apical__CS_vz1k475o0lei_0
| Name | Hydrogen-induced_insulating_state_SmNiO3_2H_apical |
|---|---|
| Extended ID | Hydrogen-induced_insulating_state_SmNiO3_2H_apical__CS_vz1k475o0lei_0 |
| Description | Configurations with 2 H atoms bonded to apical oxygen from Hydrogen-induced_insulating_state_SmNiO3 dataset |
| Elements |
H (4.76%) Ni (19.05%) O (57.14%) Sm (19.05%) |
| Number of Configurations | 6 |
| Number of Atoms | 252 |
| Configurations |
CO_1831965335382101550 CO_1504509994815162960 CO_1843405951499062837 CO_1078610611293469943 CO_800313278271066249 CO_1197613297453415886 |
| Datasets |
DS_r1sl5dye35kg_0 |
| ColabFit ID | CS_vz1k475o0lei_0 |
| Files | colabfitspec.json |
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