Formula |
Cd4Ge4N8 |
Reduced formula |
CdGeN2 |
Stoichiometry |
ABC2 |
Number of species |
3 |
Number of atoms |
16 |
Unique ID |
10 |
Unit cell volume [Å3] |
208.752 |
E-hull [eV] |
-0.043 |
Kohn Sham band gap [eV] |
0.810 |
Effective electron mass [me] |
0.164 |
Effective hole mass [me] |
-6.322 |
Derivative discontinuity (GLLB-SC) [eV] |
0.340 |
Energy per atom [eV] |
0.062 |
Uncertanty of the convex hull energy [eV] |
0.054 |
Uncertanty of the total energy [eV] |
0.007 |
Direct band gap (GLLB-SC) [eV] |
1.150 |
Indirect band gap (GLLB-SC) [eV] |
1.150 |
Direct band gap (TB09) [eV] |
1.480 |
Indirect band gap (TB09) [eV] |
1.450 |
Crystal system |
Orthorhombic |
Phase |
ST |
Short chemical formula |
CdGeN2 |
Total energy (mBEEF) [eV] |
-938.216 |
Energy [eV] |
-938.216 |