Formula |
Cd4Sn4N8 |
Reduced formula |
CdSnN2 |
Stoichiometry |
ABC2 |
Number of species |
3 |
Number of atoms |
16 |
Unique ID |
22 |
Unit cell volume [Å3] |
244.974 |
E-hull [eV] |
0.214 |
Kohn Sham band gap [eV] |
0.070 |
Effective electron mass [me] |
0.135 |
Effective hole mass [me] |
-3.130 |
Derivative discontinuity (GLLB-SC) [eV] |
0.030 |
Energy per atom [eV] |
0.024 |
Uncertanty of the convex hull energy [eV] |
0.072 |
Uncertanty of the total energy [eV] |
0.007 |
Direct band gap (GLLB-SC) [eV] |
0.100 |
Indirect band gap (GLLB-SC) [eV] |
0.100 |
Direct band gap (TB09) [eV] |
0.680 |
Indirect band gap (TB09) [eV] |
0.680 |
Crystal system |
Orthorhombic |
Phase |
ST |
Short chemical formula |
CdSnN2 |
Total energy (mBEEF) [eV] |
-1218.305 |
Energy [eV] |
-1218.305 |