Formula CClNPbBr2H6
Reduced formula CClNPbBr2H6
Stoichiometry ABCDE2F6
Number of species 6
Number of atoms 12
Unique ID 21
Unit cell volume [Å3] 202.563
Direct GLLB-SC+SOC bandgap [eV] 2.177
Indirect GLLB-SC+SOC bandgap [eV] 2.177
GLLB-SC Derivative discontinuity [eV] 0.911
Name given to the crystal structure MAPbBr2Cl
Symmetry of the crystal cubic
Space group of the crystal Pm-3m
Energy [eV] -54.881
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 5.976 0.000 0.000 Yes
2 0.000 5.976 0.000 Yes
3 0.000 0.000 5.673 Yes
Lengths [Å] 5.976 5.976 5.673
Angles [°] 90.000 90.000 90.000
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