Formula ClCsPbBr2
Reduced formula ClCsPbBr2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 1
Unit cell volume [Å3] 195.672
Direct GLLB-SC+SOC bandgap [eV] 1.709
Indirect GLLB-SC+SOC bandgap [eV] 1.709
GLLB-SC Derivative discontinuity [eV] 0.774
Name given to the crystal structure CsPbBr2Cl
Symmetry of the crystal cubic
Space group of the crystal Pm-3m
Energy [eV] -17.150
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 5.903 0.000 0.000 Yes
2 0.000 5.903 0.000 Yes
3 0.000 0.000 5.616 Yes
Lengths [Å] 5.903 5.903 5.616
Angles [°] 90.000 90.000 90.000
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