Formula NSiTaO2
Reduced formula NSiTaO2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 9
Unit cell volume [Å3] 46.633
A-ion in the cubic perovskite Ta
B-ion in the cubic perovskite Si
Anion combination in the perovskite O2N
Direct bandgap GLLB-SC [eV] 0.000
Indirect bandgap GLLB-SC [eV] 0.000
Heat of formation [eV] 1.220
General formula ABO2N
Direct position of the conduction band edge 6.041
Indirect position of the conduction band edge 6.041
Direct position of the valence band edge 6.041
Indirect position of the valence band edge 6.041
Standard energy -3.345
Energy [eV] -35.519
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.599 0.000 0.000 Yes
2 0.000 3.599 0.000 Yes
3 0.000 0.000 3.599 Yes
Lengths [Å] 3.599 3.599 3.599
Angles [°] 90.000 90.000 90.000