Formula Sn5N6Ta6Ba11O27
Reduced formula Sn5N6Ta6Ba11O27
Stoichiometry A5B6C6D11E27
Number of species 5
Number of atoms 55
Unique ID 12
Unit cell volume [Å3] 758.131
Direct bandgap GLLB-SC [eV] 1.332
Indirect bandgap GLLB-SC [eV] 1.332
Derivative discontinuity GLLB-SC [eV] 0.556
Cubic perovskite labeled as A-combination BaSnO3
Cubic perovskite labeled as B-combination BaTaO2N
Sequence of A and B layers AAAAABBBBBB
GLLBSC Gamma-gap 1.332
Energy [eV] -433.723
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