Formula |
In4Ga4As8 |
Reduced formula |
InGaAs2 |
Stoichiometry |
ABC2 |
Number of species |
3 |
Number of atoms |
16 |
Unique ID |
14 |
Unit cell volume [Å3] |
407.411 |
E-hull [eV] |
0.028 |
Kohn Sham band gap [eV] |
0.200 |
Effective electron mass [me] |
0.086 |
Effective hole mass [me] |
-0.978 |
Derivative discontinuity (GLLB-SC) [eV] |
0.070 |
Energy per atom [eV] |
0.019 |
Uncertanty of the convex hull energy [eV] |
0.021 |
Uncertanty of the total energy [eV] |
0.008 |
Direct band gap (GLLB-SC) [eV] |
0.270 |
Indirect band gap (GLLB-SC) [eV] |
0.270 |
Direct band gap (TB09) [eV] |
0.910 |
Indirect band gap (TB09) [eV] |
0.910 |
Crystal system |
Orthorhombic |
Phase |
ST |
Short chemical formula |
GaInAs2 |
Total energy (mBEEF) [eV] |
-1427.817 |
Energy [eV] |
-1427.817 |