Formula | Sn4N6Ta6Ba10O24 |
Reduced formula | Sn2N3Ta3Ba5O12 |
Stoichiometry | A2B3C3D5E12 |
Number of species | 5 |
Number of atoms | 50 |
Unique ID | 13 |
Unit cell volume [Å3] | 689.210 |
Direct bandgap GLLB-SC [eV] | 1.430 |
Indirect bandgap GLLB-SC [eV] | 1.430 |
Derivative discontinuity GLLB-SC [eV] | 0.566 |
Cubic perovskite labeled as A-combination | BaSnO3 |
Cubic perovskite labeled as B-combination | BaTaO2N |
Sequence of A and B layers | AAAABBBBBB |
GLLBSC Gamma-gap | 1.430 |
Energy [eV] | -399.608 |