Formula CsIPbBr2
Reduced formula CsIPbBr2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 8
Unit cell volume [Å3] 220.865
Direct GLLB-SC+SOC bandgap [eV] 2.077
Indirect GLLB-SC+SOC bandgap [eV] 1.909
GLLB-SC Derivative discontinuity [eV] 0.871
Name given to the crystal structure CsPbIBr2
Symmetry of the crystal cubic
Space group of the crystal Pm-3m
Energy [eV] -16.076
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.409 0.000 0.000 Yes
2 0.000 5.870 0.000 Yes
3 0.000 0.000 5.870 Yes
Lengths [Å] 6.409 5.870 5.870
Angles [°] 90.000 90.000 90.000
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