Formula | SnN2Ta2Ba3O7 |
Reduced formula | SnN2Ta2Ba3O7 |
Stoichiometry | AB2C2D3E7 |
Number of species | 5 |
Number of atoms | 15 |
Unique ID | 5 |
Unit cell volume [Å3] | 206.763 |
Direct bandgap GLLB-SC [eV] | 2.103 |
Indirect bandgap GLLB-SC [eV] | 2.103 |
Derivative discontinuity GLLB-SC [eV] | 0.501 |
Cubic perovskite labeled as A-combination | BaSnO3 |
Cubic perovskite labeled as B-combination | BaTaO2N |
Sequence of A and B layers | ABB |
GLLBSC Gamma-gap | 2.103 |
Energy [eV] | -121.859 |