Formula AlBeNO2
Reduced formula AlBeNO2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 19
Unit cell volume [Å3] 50.319
A-ion in the cubic perovskite Be
B-ion in the cubic perovskite Al
Anion combination in the perovskite O2N
Direct bandgap GLLB-SC [eV] 0.000
Indirect bandgap GLLB-SC [eV] 0.000
Heat of formation [eV] 1.920
General formula ABO2N
Direct position of the conduction band edge 5.786
Indirect position of the conduction band edge 5.786
Direct position of the valence band edge 5.786
Indirect position of the valence band edge 5.786
Standard energy -0.941
Energy [eV] -25.750
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.692 0.000 0.000 Yes
2 0.000 3.692 0.000 Yes
3 0.000 0.000 3.692 Yes
Lengths [Å] 3.692 3.692 3.692
Angles [°] 90.000 90.000 90.000