Configuration Set

ferroelectricity_and_metallicity_in_BaTiO3_JMCC2021_supercell_scandium__CS_xl3iwspp8mrd_0

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
Configurations	CO_2000687886031318059 CO_1746319556850191902 CO_1158577787812935365 CO_851031226913387719 CO_2281339514869893267 CO_1502039560901661032 CO_542046832483219713 CO_1491489902188803157 CO_1524445765601009113 CO_599940999559211279 CO_334578030616888455 CO_2065550044099321096 CO_2094697293885976824 CO_2081596279614857084 CO_83891808989025114 CO_1620652597463349127 CO_320681950086058155 CO_2068310804448213933 CO_1801885074210635310 CO_1851217988054316249 CO_128620864734875655 CO_1578040610066023955 CO_2255547086930177586 CO_1546456040430772699 CO_1808773698658818894 CO_886158622603748658 CO_1873347046127862654 CO_1656666804671360040 CO_969008355958143468 CO_543447013705336461 CO_277477258463242950 CO_872465539745493959 CO_9117962980751398 CO_2037224180796596493 CO_94179749931611724 CO_550234613836802412 CO_372222655946042738 CO_1882976556626927695 CO_311079980404100402 CO_761352213083956057 CO_763805020782519216 CO_1941340608713924059 CO_2014476617664261987 CO_1087956343299943670 CO_1763321056694362738 CO_1499977688545773967 CO_98899444526813931 CO_110419103920316170 CO_525243116270754910
Datasets	DS_w5kzth1uof2y_0
ColabFit ID	CS_xl3iwspp8mrd_0
Files	colabfitspec.json

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