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 |