Formula NSrTaO2
Reduced formula NSrTaO2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 19
Unit cell volume [Å3] 69.564
Name of the structure SrTaO2N
Perovskite phase cubic
Direct bandgap GLLB-SC [eV] 1.775
Indirect bandgap GLLB-SC [eV] 1.775
Derivative discontinuity GLLB-SC [eV] 0.329
Calculated efficiency (thickness 1 nm) [eV] 0.184
Calculated efficiency (infinite thickness) [eV] 0.302
Energy [eV] -42.252
Total magnetic moment [μB] 0.000
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.113 0.000 0.000 Yes
2 0.000 4.113 0.000 Yes
3 0.000 0.000 4.113 Yes
Lengths [Å] 4.113 4.113 4.113
Angles [°] 90.000 90.000 90.000
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