Configuration Set


Name ferroelectricity_and_metallicity_in_BaTiO3_JMCC2021_supercell_scandium
Extended ID ferroelectricity_and_metallicity_in_BaTiO3_JMCC2021_supercell_scandium__CS_xl3iwspp8mrd_0
Description Configurations of supercell BaTiO3 doped with scandium from ferroelectricity_and_metallicity_in_BaTiO3_JMCC2021 dataset
Elements Ba (20.0%)
O (60.0%)
Sc (2.5%)
Ti (17.5%)
Number of Configurations 49
Number of Atoms 1,960
Datasets DS_w5kzth1uof2y_0
ColabFit ID CS_xl3iwspp8mrd_0
Files colabfitspec.json

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