Formula CNSnCl3H6
Reduced formula CNSnCl3H6
Stoichiometry ABCD3E6
Number of species 5
Number of atoms 12
Unique ID 25
Unit cell volume [Å3] 179.927
Name of the structure MASnCl3
Perovskite phase halides_cubic
Direct bandgap GLLB-SC [eV] 2.605
Indirect bandgap GLLB-SC [eV] 2.605
Derivative discontinuity GLLB-SC [eV] 0.713
Calculated efficiency (thickness 1 nm) [eV] 0.059
Calculated efficiency (infinite thickness) [eV] 0.072
Energy [eV] -56.347
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 5.645 0.000 0.000 Yes
2 0.000 5.645 0.000 Yes
3 0.000 0.000 5.646 Yes
Lengths [Å] 5.645 5.645 5.646
Angles [°] 90.000 90.000 90.000
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