Formula N6Sn6Ta6Ba12O30
Reduced formula NSnTaBa2O5
Stoichiometry ABCD2E5
Number of species 5
Number of atoms 60
Unique ID 10
Unit cell volume [Å3] 827.052
Direct bandgap GLLB-SC [eV] 1.261
Indirect bandgap GLLB-SC [eV] 1.261
Derivative discontinuity GLLB-SC [eV] 0.545
Cubic perovskite labeled as A-combination BaSnO3
Cubic perovskite labeled as B-combination BaTaO2N
Sequence of A and B layers AAAAAABBBBBB
GLLBSC Gamma-gap 1.261
  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 49.200 Yes
Lengths [Å] 4.100 4.100 49.200
Angles [°] 90.000 90.000 90.000
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