Formula Sn3N4Ta4Ba7O17
Reduced formula Sn3N4Ta4Ba7O17
Stoichiometry A3B4C4D7E17
Number of species 5
Number of atoms 35
Unique ID 22
Unit cell volume [Å3] 482.447
Direct bandgap GLLB-SC [eV] 1.625
Indirect bandgap GLLB-SC [eV] 1.625
Derivative discontinuity GLLB-SC [eV] 0.593
Cubic perovskite labeled as A-combination BaSnO3
Cubic perovskite labeled as B-combination BaTaO2N
Sequence of A and B layers AAABBBB
GLLBSC Gamma-gap 1.625
Energy [eV] -277.793
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 28.700 Yes
Lengths [Å] 4.100 4.100 28.700
Angles [°] 90.000 90.000 90.000