Formula OTaYN2
Reduced formula OTaYN2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 20
Unit cell volume [Å3] 69.056
Name of the structure YTaON2
Perovskite phase cubic
Direct bandgap GLLB-SC [eV] 2.200
Indirect bandgap GLLB-SC [eV] 1.944
Derivative discontinuity GLLB-SC [eV] 0.443
Calculated efficiency (thickness 1 nm) [eV] 0.112
Calculated efficiency (infinite thickness) [eV] 0.152
Energy [eV] -46.172
Total magnetic moment [μB] 0.000
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.103 0.000 0.000 Yes
2 0.000 4.103 0.000 Yes
3 0.000 0.000 4.103 Yes
Lengths [Å] 4.103 4.103 4.103
Angles [°] 90.000 90.000 90.000
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