Formula CsISnCl2
Reduced formula CsISnCl2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 20
Unit cell volume [Å3] 191.004
Direct GLLB-SC+SOC bandgap [eV] 1.168
Indirect GLLB-SC+SOC bandgap [eV] 1.021
GLLB-SC Derivative discontinuity [eV] 0.396
Name given to the crystal structure CsSnICl2
Symmetry of the crystal cubic
Space group of the crystal Pm-3m
Energy [eV] -17.154
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.278 0.000 0.000 Yes
2 0.000 5.516 0.000 Yes
3 0.000 0.000 5.516 Yes
Lengths [Å] 6.278 5.516 5.516
Angles [°] 90.000 90.000 90.000
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