Formula |
Ga4In4P8 |
Reduced formula |
GaInP2 |
Stoichiometry |
ABC2 |
Number of species |
3 |
Number of atoms |
16 |
Unique ID |
11 |
Unit cell volume [Å3] |
365.757 |
E-hull [eV] |
0.008 |
Kohn Sham band gap [eV] |
1.360 |
Effective electron mass [me] |
0.131 |
Effective hole mass [me] |
-1.075 |
Derivative discontinuity (GLLB-SC) [eV] |
0.510 |
Energy per atom [eV] |
0.019 |
Uncertanty of the convex hull energy [eV] |
0.018 |
Uncertanty of the total energy [eV] |
0.009 |
Direct band gap (GLLB-SC) [eV] |
1.870 |
Indirect band gap (GLLB-SC) [eV] |
1.870 |
Direct band gap (TB09) [eV] |
1.960 |
Indirect band gap (TB09) [eV] |
1.960 |
Crystal system |
Orthorhombic |
Phase |
ST |
Short chemical formula |
GaInP2 |
Total energy (mBEEF) [eV] |
-1043.787 |
Energy [eV] |
-1043.787 |