Formula BeNScO2
Reduced formula BeNScO2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 18
Unit cell volume [Å3] 66.079
A-ion in the cubic perovskite Be
B-ion in the cubic perovskite Sc
Anion combination in the perovskite O2N
Direct bandgap GLLB-SC [eV] 0.000
Indirect bandgap GLLB-SC [eV] 0.000
Heat of formation [eV] 2.300
General formula ABO2N
Direct position of the conduction band edge 5.832
Indirect position of the conduction band edge 5.832
Direct position of the valence band edge 5.832
Indirect position of the valence band edge 5.832
Standard energy -0.485
Energy [eV] -26.084
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.043 0.000 0.000 Yes
2 0.000 4.043 0.000 Yes
3 0.000 0.000 4.043 Yes
Lengths [Å] 4.043 4.043 4.043
Angles [°] 90.000 90.000 90.000