Formula CsPbI3
Reduced formula CsPbI3
Stoichiometry ABC3
Number of species 3
Number of atoms 5
Unique ID 7
Unit cell volume [Å3] 247.093
Direct GLLB-SC+SOC bandgap [eV] 1.624
Indirect GLLB-SC+SOC bandgap [eV] 1.624
GLLB-SC Derivative discontinuity [eV] 1.131
Name given to the crystal structure CsPbI3
Symmetry of the crystal cubic
Space group of the crystal Pm-3m
Energy [eV] -14.883
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.275 0.000 0.000 Yes
2 0.000 6.275 0.000 Yes
3 0.000 0.000 6.275 Yes
Lengths [Å] 6.275 6.275 6.275
Angles [°] 90.000 90.000 90.000
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