Formula BrClCsIPb
Reduced formula BrClCsIPb
Stoichiometry ABCDE
Number of species 5
Number of atoms 5
Unique ID 9
Unit cell volume [Å3] 211.991
Direct GLLB-SC+SOC bandgap [eV] 1.978
Indirect GLLB-SC+SOC bandgap [eV] 1.887
GLLB-SC Derivative discontinuity [eV] 0.855
Name given to the crystal structure CsPbIBrCl
Symmetry of the crystal cubic
Space group of the crystal Pm-3m
Energy [eV] -16.601
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.405 0.000 0.000 Yes
2 0.000 5.907 0.000 Yes
3 0.000 0.000 5.603 Yes
Lengths [Å] 6.405 5.907 5.603
Angles [°] 90.000 90.000 90.000
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