Formula Sn4N5Ta5Ba9O22
Reduced formula Sn4N5Ta5Ba9O22
Stoichiometry A4B5C5D9E22
Number of species 5
Number of atoms 45
Unique ID 11
Unit cell volume [Å3] 620.289
Direct bandgap GLLB-SC [eV] 1.435
Indirect bandgap GLLB-SC [eV] 1.435
Derivative discontinuity GLLB-SC [eV] 0.568
Cubic perovskite labeled as A-combination BaSnO3
Cubic perovskite labeled as B-combination BaTaO2N
Sequence of A and B layers AAAABBBBB
GLLBSC Gamma-gap 1.435
Energy [eV] -355.758
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.100 0.000 0.000 Yes
2 0.000 4.100 0.000 Yes
3 0.000 0.000 36.900 Yes
Lengths [Å] 4.100 4.100 36.900
Angles [°] 90.000 90.000 90.000