Formula N4Ta4Sn6Ba10O26
Reduced formula N2Ta2Sn3Ba5O13
Stoichiometry A2B2C3D5E13
Number of species 5
Number of atoms 50
Unique ID 17
Unit cell volume [Å3] 689.210
Direct bandgap GLLB-SC [eV] 1.285
Indirect bandgap GLLB-SC [eV] 1.285
Derivative discontinuity GLLB-SC [eV] 0.554
Cubic perovskite labeled as A-combination BaSnO3
Cubic perovskite labeled as B-combination BaTaO2N
Sequence of A and B layers AAAAAABBBB
GLLBSC Gamma-gap 1.285
Energy [eV] -380.139
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 41.000 Yes
Lengths [Å] 4.100 4.100 41.000
Angles [°] 90.000 90.000 90.000