Formula BrClCsISn
Reduced formula BrClCsISn
Stoichiometry ABCDE
Number of species 5
Number of atoms 5
Unique ID 19
Unit cell volume [Å3] 198.400
Direct GLLB-SC+SOC bandgap [eV] 0.824
Indirect GLLB-SC+SOC bandgap [eV] 0.709
GLLB-SC Derivative discontinuity [eV] 0.307
Name given to the crystal structure CsSnIBrCl
Symmetry of the crystal cubic
Space group of the crystal Pm-3m
Energy [eV] -16.636
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.250 0.000 0.000 Yes
2 0.000 5.791 0.000 Yes
3 0.000 0.000 5.482 Yes
Lengths [Å] 6.250 5.791 5.482
Angles [°] 90.000 90.000 90.000
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