Formula Ba2Sb2Ti2Na2O12
Reduced formula BaSbTiNaO6
Stoichiometry ABCDE6
Number of species 5
Number of atoms 20
Unique ID 19
Unit cell volume [Å3] 262.524
Direct bandgap GLLB-SC [eV] 4.005
Indirect bandgap GLLB-SC [eV] 3.997
Derivative discontinuity GLLB-SC [eV] 0.908
double ruddlesden-popper or dion-jacobsen double
Composition BaTiNaSb-ox
Energy [eV] -140.166
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.034 4.034 0.000 Yes
2 -4.034 4.034 0.000 Yes
3 0.000 0.000 8.067 Yes
Lengths [Å] 5.705 5.705 8.067
Angles [°] 90.000 90.000 90.000
This work is licensed under a Creative Commons Attribution-Noncomercial 4.0 International License.
Creative Commons License
Powered by Bottle and CAMD-Web