Formula CsSnI3
Reduced formula CsSnI3
Stoichiometry ABC3
Number of species 3
Number of atoms 5
Unique ID 21
Unit cell volume [Å3] 231.314
Name of the structure CsSnI3
Perovskite phase halides_cubic
Direct bandgap GLLB-SC [eV] 0.609
Indirect bandgap GLLB-SC [eV] 0.608
Derivative discontinuity GLLB-SC [eV] 0.276
Calculated efficiency (thickness 1 nm) [eV] 0.900
Calculated efficiency (infinite thickness) [eV] 0.900
Energy [eV] -15.677
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.139 0.000 0.000 Yes
2 0.000 6.139 0.000 Yes
3 0.000 0.000 6.139 Yes
Lengths [Å] 6.139 6.139 6.139
Angles [°] 90.000 90.000 90.000
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