Configuration Set
ferroelectricity_and_metallicity_in_BaTiO3_JMCC2021_supercell_lanthanum__CS_e9grbklwmr9q_0
| Name | ferroelectricity_and_metallicity_in_BaTiO3_JMCC2021_supercell_lanthanum |
|---|---|
| Extended ID | ferroelectricity_and_metallicity_in_BaTiO3_JMCC2021_supercell_lanthanum__CS_e9grbklwmr9q_0 |
| Description | Configurations of supercell BaTiO3 doped with lanthanum from ferroelectricity_and_metallicity_in_BaTiO3_JMCC2021 dataset |
| Elements |
Ba (17.5%) La (2.5%) O (60.0%) Ti (20.0%) |
| Number of Configurations | 67 |
| Number of Atoms | 2,680 |
| Configurations | |
| Datasets |
DS_w5kzth1uof2y_0 |
| ColabFit ID | CS_e9grbklwmr9q_0 |
| Files | colabfitspec.json |
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