Formula CNSnBr3H6
Reduced formula CNSnBr3H6
Stoichiometry ABCD3E6
Number of species 5
Number of atoms 12
Unique ID 24
Unit cell volume [Å3] 201.201
Name of the structure MASnBr3
Perovskite phase halides_cubic
Direct bandgap GLLB-SC [eV] 1.482
Indirect bandgap GLLB-SC [eV] 1.482
Derivative discontinuity GLLB-SC [eV] 0.408
Calculated efficiency (thickness 1 nm) [eV] 0.354
Calculated efficiency (infinite thickness) [eV] 0.429
Energy [eV] -54.759
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 5.860 0.000 0.000 Yes
2 0.000 5.860 0.000 Yes
3 0.000 0.000 5.860 Yes
Lengths [Å] 5.860 5.860 5.860
Angles [°] 90.000 90.000 90.000
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