Formula NTlWO2
Reduced formula NTlWO2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 11
Unit cell volume [Å3] 73.523
A-ion in the cubic perovskite W
B-ion in the cubic perovskite Tl
Anion combination in the perovskite O2N
Direct bandgap GLLB-SC [eV] 0.000
Indirect bandgap GLLB-SC [eV] 0.000
Heat of formation [eV] 2.600
General formula ABO2N
Direct position of the conduction band edge 6.304
Indirect position of the conduction band edge 6.304
Direct position of the valence band edge 6.304
Indirect position of the valence band edge 6.304
Standard energy 8.065
Energy [eV] -22.589
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.189 0.000 0.000 Yes
2 0.000 4.189 0.000 Yes
3 0.000 0.000 4.189 Yes
Lengths [Å] 4.189 4.189 4.189
Angles [°] 90.000 90.000 90.000