Formula NTaSn3Ba4O11
Reduced formula NTaSn3Ba4O11
Stoichiometry ABC3D4E11
Number of species 5
Number of atoms 20
Unique ID 8
Unit cell volume [Å3] 275.684
Direct bandgap GLLB-SC [eV] 1.414
Indirect bandgap GLLB-SC [eV] 1.414
Derivative discontinuity GLLB-SC [eV] 0.425
Cubic perovskite labeled as A-combination BaSnO3
Cubic perovskite labeled as B-combination BaTaO2N
Sequence of A and B layers AAAB
GLLBSC Gamma-gap 1.414
Energy [eV] -146.235
  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 16.400 Yes
Lengths [Å] 4.100 4.100 16.400
Angles [°] 90.000 90.000 90.000
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