Formula GeMoNO2
Reduced formula GeMoNO2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 14
Unit cell volume [Å3] 53.823
A-ion in the cubic perovskite Mo
B-ion in the cubic perovskite Ge
Anion combination in the perovskite O2N
Direct bandgap GLLB-SC [eV] 0.000
Indirect bandgap GLLB-SC [eV] 0.000
Heat of formation [eV] 1.140
General formula ABO2N
Direct position of the conduction band edge 5.940
Indirect position of the conduction band edge 5.940
Direct position of the valence band edge 5.940
Indirect position of the valence band edge 5.940
Standard energy 0.607
Energy [eV] -31.659
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.776 0.000 0.000 Yes
2 0.000 3.776 0.000 Yes
3 0.000 0.000 3.776 Yes
Lengths [Å] 3.776 3.776 3.776
Angles [°] 90.000 90.000 90.000