Formula |
HgNNbO2 |
Reduced formula |
HgNNbO2 |
Stoichiometry |
ABCD2 |
Number of species |
4 |
Number of atoms |
5 |
Unique ID |
3 |
Unit cell volume [Å3] |
70.421 |
A-ion in the cubic perovskite |
Hg |
B-ion in the cubic perovskite |
Nb |
Anion combination in the perovskite |
O2N |
Direct bandgap GLLB-SC [eV] |
1.600 |
Indirect bandgap GLLB-SC [eV] |
1.000 |
Heat of formation [eV] |
0.540 |
General formula |
ABO2N |
Direct position of the conduction band edge |
5.333 |
Indirect position of the conduction band edge |
5.603 |
Direct position of the valence band edge |
6.913 |
Indirect position of the valence band edge |
6.643 |
Standard energy |
-3.707 |
Energy [eV] |
-31.495 |