Formula CsIPbCl2
Reduced formula CsIPbCl2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 10
Unit cell volume [Å3] 203.831
Direct GLLB-SC+SOC bandgap [eV] 2.207
Indirect GLLB-SC+SOC bandgap [eV] 2.103
GLLB-SC Derivative discontinuity [eV] 0.912
Name given to the crystal structure CsPbICl2
Symmetry of the crystal cubic
Space group of the crystal Pm-3m
Energy [eV] -17.135
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.437 0.000 0.000 Yes
2 0.000 5.627 0.000 Yes
3 0.000 0.000 5.627 Yes
Lengths [Å] 6.437 5.627 5.627
Angles [°] 90.000 90.000 90.000
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