Formula SnN2Ta2Ba3O7
Reduced formula SnN2Ta2Ba3O7
Stoichiometry AB2C2D3E7
Number of species 5
Number of atoms 15
Unique ID 5
Unit cell volume [Å3] 206.763
Direct bandgap GLLB-SC [eV] 2.103
Indirect bandgap GLLB-SC [eV] 2.103
Derivative discontinuity GLLB-SC [eV] 0.501
Cubic perovskite labeled as A-combination BaSnO3
Cubic perovskite labeled as B-combination BaTaO2N
Sequence of A and B layers ABB
GLLBSC Gamma-gap 2.103
Energy [eV] -121.859
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 12.300 Yes
Lengths [Å] 4.100 4.100 12.300
Angles [°] 90.000 90.000 90.000