Formula AsMnNO2
Reduced formula AsMnNO2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 21
Unit cell volume [Å3] 52.937
A-ion in the cubic perovskite Mn
B-ion in the cubic perovskite As
Anion combination in the perovskite O2N
Direct bandgap GLLB-SC [eV] 0.000
Indirect bandgap GLLB-SC [eV] 0.000
Heat of formation [eV] 1.040
General formula ABO2N
Direct position of the conduction band edge 6.053
Indirect position of the conduction band edge 6.053
Direct position of the valence band edge 6.053
Indirect position of the valence band edge 6.053
Standard energy -0.079
Energy [eV] -30.978
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.755 0.000 0.000 Yes
2 0.000 3.755 0.000 Yes
3 0.000 0.000 3.755 Yes
Lengths [Å] 3.755 3.755 3.755
Angles [°] 90.000 90.000 90.000