Formula | Ba10Ta4Sn6N4O26 |
Reduced formula | Ba5Ta2Sn3N2O13 |
Stoichiometry | A2B2C3D5E13 |
Number of species | 5 |
Number of atoms | 50 |
Unique ID | 17 |
Unit cell volume [Å3] | 689.210 |
Direct bandgap GLLB-SC [eV] | 1.285 |
Indirect bandgap GLLB-SC [eV] | 1.285 |
Derivative discontinuity GLLB-SC [eV] | 0.554 |
Cubic perovskite labeled as A-combination | BaSnO3 |
Cubic perovskite labeled as B-combination | BaTaO2N |
Sequence of A and B layers | AAAAAABBBB |
GLLBSC Gamma-gap | 1.285 |
Energy [eV] | -380.139 |