Formula Sn2N4Ta4Ba6O14
Reduced formula SnN2Ta2Ba3O7
Stoichiometry AB2C2D3E7
Number of species 5
Number of atoms 30
Unique ID 23
Unit cell volume [Å3] 413.526
Direct bandgap GLLB-SC [eV] 1.763
Indirect bandgap GLLB-SC [eV] 1.763
Derivative discontinuity GLLB-SC [eV] 0.417
Cubic perovskite labeled as A-combination BaSnO3
Cubic perovskite labeled as B-combination BaTaO2N
Sequence of A and B layers AABBBB
GLLBSC Gamma-gap 1.763
Energy [eV] -243.676
  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 24.600 Yes
Lengths [Å] 4.100 4.100 24.600
Angles [°] 90.000 90.000 90.000
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