Configuration Set

doped_CsPbI3_energetics_test_black_band_gap__CS_vf900bpqu937_0

Name	doped_CsPbI3_energetics_test_black_band_gap
Extended ID	doped_CsPbI3_energetics_test_black_band_gap__CS_vf900bpqu937_0
Description	Configurations of CsPbI3 from doped_CsPbI3_energetics_test dataset with black (direct) band gap phase
Elements	Cd (1.25%) Cs (20.0%) I (60.0%) Pb (17.5%) Zn (1.25%)
Number of Configurations	30
Number of Atoms	4,800
Configurations	CO_552640319860856606 CO_830153043247247939 CO_2168699831349552884 CO_1891368248732601585 CO_912313720122535282 CO_1333869097845323464 CO_1053538610514104020 CO_1416893309330201881 CO_1248305553676883761 CO_10135744085774741 CO_1565401449338435074 CO_538800259461846071 CO_1879574493518031391 CO_283222212340937251 CO_1160034938238273520 CO_1320290017832323694 CO_2222814080985373385 CO_2081717132697038181 CO_784185838497916922 CO_1897557296903089035 CO_941259260757239191 CO_2210705287650566381 CO_912176475198572108 CO_2003019599708614042 CO_1981406061590082079 CO_2205218508340327254 CO_2051334015880033617 CO_972980036720641157 CO_2299347856649274469 CO_2259940520332553527
Datasets	DS_a2ftwj9b873a_0
ColabFit ID	CS_vf900bpqu937_0
Files	colabfitspec.json

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