Formula ClCsSnBr2
Reduced formula ClCsSnBr2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 11
Unit cell volume [Å3] 183.083
Direct GLLB-SC+SOC bandgap [eV] 0.552
Indirect GLLB-SC+SOC bandgap [eV] 0.552
GLLB-SC Derivative discontinuity [eV] 0.308
Name given to the crystal structure CsSnBr2Cl
Symmetry of the crystal cubic
Space group of the crystal Pm-3m
Energy [eV] -17.209
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 5.779 0.000 0.000 Yes
2 0.000 5.779 0.000 Yes
3 0.000 0.000 5.481 Yes
Lengths [Å] 5.779 5.779 5.481
Angles [°] 90.000 90.000 90.000
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