Formula Sn3N5Ta5Ba8O19
Reduced formula Sn3N5Ta5Ba8O19
Stoichiometry A3B5C5D8E19
Number of species 5
Number of atoms 40
Unique ID 24
Unit cell volume [Å3] 551.368
Direct bandgap GLLB-SC [eV] 1.616
Indirect bandgap GLLB-SC [eV] 1.616
Derivative discontinuity GLLB-SC [eV] 0.590
Cubic perovskite labeled as A-combination BaSnO3
Cubic perovskite labeled as B-combination BaTaO2N
Sequence of A and B layers AAABBBBB
GLLBSC Gamma-gap 1.616
Energy [eV] -321.642
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 32.800 Yes
Lengths [Å] 4.100 4.100 32.800
Angles [°] 90.000 90.000 90.000