Formula N2Sn2Ta2Ba4O10
Reduced formula NSnTaBa2O5
Stoichiometry ABCD2E5
Number of species 5
Number of atoms 20
Unique ID 3
Unit cell volume [Å3] 275.684
Direct bandgap GLLB-SC [eV] 1.726
Indirect bandgap GLLB-SC [eV] 1.726
Derivative discontinuity GLLB-SC [eV] 0.407
Cubic perovskite labeled as A-combination BaSnO3
Cubic perovskite labeled as B-combination BaTaO2N
Sequence of A and B layers AABB
GLLBSC Gamma-gap 1.726
Energy [eV] -155.976
  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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