Formula NRbTeO2
Reduced formula NRbTeO2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 13
Unit cell volume [Å3] 84.948
A-ion in the cubic perovskite Te
B-ion in the cubic perovskite Rb
Anion combination in the perovskite O2N
Direct bandgap GLLB-SC [eV] 0.000
Indirect bandgap GLLB-SC [eV] 0.000
Heat of formation [eV] 2.960
General formula ABO2N
Direct position of the conduction band edge 5.556
Indirect position of the conduction band edge 5.556
Direct position of the valence band edge 5.556
Indirect position of the valence band edge 5.556
Standard energy 9.838
Energy [eV] -11.685
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.396 0.000 0.000 Yes
2 0.000 4.396 0.000 Yes
3 0.000 0.000 4.396 Yes
Lengths [Å] 4.396 4.396 4.396
Angles [°] 90.000 90.000 90.000
This work is licensed under a Creative Commons Attribution-Noncomercial 4.0 International License.
Creative Commons License
Powered by Bottle and CAMD-Web