Formula CNPbCl3H6
Reduced formula CNPbCl3H6
Stoichiometry ABCD3E6
Number of species 5
Number of atoms 12
Unique ID 24
Unit cell volume [Å3] 185.121
Direct GLLB-SC+SOC bandgap [eV] 2.712
Indirect GLLB-SC+SOC bandgap [eV] 2.712
GLLB-SC Derivative discontinuity [eV] 1.025
Name given to the crystal structure MAPbCl3
Symmetry of the crystal cubic
Space group of the crystal Pm-3m
Energy [eV] -55.917
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 5.699 0.000 0.000 Yes
2 0.000 5.699 0.000 Yes
3 0.000 0.000 5.699 Yes
Lengths [Å] 5.699 5.699 5.699
Angles [°] 90.000 90.000 90.000
This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.
Creative Commons License