Configuration Set
Hydrogen-induced_insulating_state_SmNiO3_2H_side__CS_zemea90bauqg_0
| Name | Hydrogen-induced_insulating_state_SmNiO3_2H_side |
|---|---|
| Extended ID | Hydrogen-induced_insulating_state_SmNiO3_2H_side__CS_zemea90bauqg_0 |
| Description | Configurations with 2 H atoms bonded to side oxygen from Hydrogen-induced_insulating_state_SmNiO3 dataset |
| Elements |
H (4.76%) Ni (19.05%) O (57.14%) Sm (19.05%) |
| Number of Configurations | 13 |
| Number of Atoms | 546 |
| Configurations |
CO_1810686251556845792 CO_379012867338108516 CO_2185096074084537589 CO_613497111053740663 CO_691095392080077138 CO_1511206409109923217 CO_1916597311802298774 CO_1090200008262548213 CO_1878469109003535906 CO_1854807575357277942 CO_518102584501703839 CO_1817809297684143486 CO_1910156550746504676 |
| Datasets |
DS_r1sl5dye35kg_0 |
| ColabFit ID | CS_zemea90bauqg_0 |
| Files | colabfitspec.json |
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