Formula |
Ga4In4N8 |
Reduced formula |
GaInN2 |
Stoichiometry |
ABC2 |
Number of species |
3 |
Number of atoms |
16 |
Unique ID |
6 |
Unit cell volume [Å3] |
215.885 |
E-hull [eV] |
0.012 |
Kohn Sham band gap [eV] |
0.920 |
Effective electron mass [me] |
0.148 |
Effective hole mass [me] |
-2.433 |
Derivative discontinuity (GLLB-SC) [eV] |
0.400 |
Energy per atom [eV] |
0.005 |
Uncertanty of the convex hull energy [eV] |
0.017 |
Uncertanty of the total energy [eV] |
0.007 |
Direct band gap (GLLB-SC) [eV] |
1.320 |
Indirect band gap (GLLB-SC) [eV] |
1.320 |
Direct band gap (TB09) [eV] |
1.700 |
Indirect band gap (TB09) [eV] |
1.700 |
Crystal system |
Orthorhombic |
Phase |
ST |
Short chemical formula |
GaInN2 |
Total energy (mBEEF) [eV] |
-946.287 |
Energy [eV] |
-946.287 |