Formula HgNPdO2
Reduced formula HgNPdO2
Stoichiometry ABCD2
Number of species 4
Number of atoms 5
Unique ID 24
Unit cell volume [Å3] 77.089
A-ion in the cubic perovskite Pd
B-ion in the cubic perovskite Hg
Anion combination in the perovskite O2N
Direct bandgap GLLB-SC [eV] 0.000
Indirect bandgap GLLB-SC [eV] 0.000
Heat of formation [eV] 2.500
General formula ABO2N
Direct position of the conduction band edge 6.255
Indirect position of the conduction band edge 6.255
Direct position of the valence band edge 6.255
Indirect position of the valence band edge 6.255
Standard energy 7.579
Energy [eV] -13.667
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.256 0.000 0.000 Yes
2 0.000 4.256 0.000 Yes
3 0.000 0.000 4.256 Yes
Lengths [Å] 4.256 4.256 4.256
Angles [°] 90.000 90.000 90.000