Formula ClCsSnI2
Reduced formula ClCsSnI2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 16
Unit cell volume [Å3] 208.548
Direct GLLB-SC+SOC bandgap [eV] 0.366
Indirect GLLB-SC+SOC bandgap [eV] 0.366
GLLB-SC Derivative discontinuity [eV] 0.373
Name given to the crystal structure CsSnI2Cl
Symmetry of the crystal cubic
Space group of the crystal Pm-3m
Energy [eV] -16.027
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.184 0.000 0.000 Yes
2 0.000 6.184 0.000 Yes
3 0.000 0.000 5.453 Yes
Lengths [Å] 6.184 6.184 5.453
Angles [°] 90.000 90.000 90.000
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