Formula N5Ta5Sn6Ba11O28
Reduced formula N5Ta5Sn6Ba11O28
Stoichiometry A5B5C6D11E28
Number of species 5
Number of atoms 55
Unique ID 16
Unit cell volume [Å3] 758.131
Direct bandgap GLLB-SC [eV] 1.279
Indirect bandgap GLLB-SC [eV] 1.279
Derivative discontinuity GLLB-SC [eV] 0.552
Cubic perovskite labeled as A-combination BaSnO3
Cubic perovskite labeled as B-combination BaTaO2N
Sequence of A and B layers AAAAAABBBBB
GLLBSC Gamma-gap 1.279
Energy [eV] -423.989
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 45.100 Yes
Lengths [Å] 4.100 4.100 45.100
Angles [°] 90.000 90.000 90.000