Configuration Set
ferroelectricity_and_metallicity_in_BaTiO3_JMCC2021_supercell_aluminum__CS_ondbt1wlroih_0
| Name | ferroelectricity_and_metallicity_in_BaTiO3_JMCC2021_supercell_aluminum |
|---|---|
| Extended ID | ferroelectricity_and_metallicity_in_BaTiO3_JMCC2021_supercell_aluminum__CS_ondbt1wlroih_0 |
| Description | Configurations of supercell BaTiO3 doped with aluminum from ferroelectricity_and_metallicity_in_BaTiO3_JMCC2021 dataset |
| Elements |
Al (2.5%) Ba (20.0%) O (60.0%) Ti (17.5%) |
| Number of Configurations | 68 |
| Number of Atoms | 2,720 |
| Configurations | |
| Datasets |
DS_w5kzth1uof2y_0 |
| ColabFit ID | CS_ondbt1wlroih_0 |
| Files | colabfitspec.json |
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