Formula CNPbBr3H6
Reduced formula CNPbBr3H6
Stoichiometry ABCD3E6
Number of species 5
Number of atoms 12
Unique ID 22
Unit cell volume [Å3] 210.899
Direct GLLB-SC+SOC bandgap [eV] 1.964
Indirect GLLB-SC+SOC bandgap [eV] 1.964
GLLB-SC Derivative discontinuity [eV] 0.855
Name given to the crystal structure MAPbBr3
Symmetry of the crystal cubic
Space group of the crystal Pm-3m
Energy [eV] -54.369
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 5.952 0.000 0.000 Yes
2 0.000 5.952 0.000 Yes
3 0.000 0.000 5.952 Yes
Lengths [Å] 5.952 5.952 5.952
Angles [°] 90.000 90.000 90.000
This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.
Creative Commons License