Formula CsISnBr2
Reduced formula CsISnBr2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 18
Unit cell volume [Å3] 204.695
Direct GLLB-SC+SOC bandgap [eV] 0.441
Indirect GLLB-SC+SOC bandgap [eV] 0.441
GLLB-SC Derivative discontinuity [eV] 0.355
Name given to the crystal structure CsSnIBr2
Symmetry of the crystal cubic
Space group of the crystal Pm-3m
Energy [eV] -16.096
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.174 0.000 0.000 Yes
2 0.000 5.758 0.000 Yes
3 0.000 0.000 5.758 Yes
Lengths [Å] 6.174 5.758 5.758
Angles [°] 90.000 90.000 90.000
This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.
Creative Commons License