C2
MatHub2d-323-C2
| Property |
Value |
| Space group |
(191, 'P6/mmm') |
| Crystal system |
hexagonal |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-18.450 |
| Free energy / atom (eV) |
-9.225 |
Lattice Parameters (basic)
| a, b, c (Å): | 2.467 | 2.467 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 2.468 | 2.468 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.292 eV |
| Vacuum level |
0.905 eV |
| VBM |
-3.338 eV |
| CBM |
-3.291 eV |
| Work function |
4.196 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.292 eV |
| Vacuum level |
0.905 eV |
| VBM |
-3.338 eV |
| CBM |
-3.291 eV |
| Work function |
4.196 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
351.375 |
61.636 |
0.000 |
| yy |
61.636 |
351.375 |
-0.000 |
| xy |
0.000 |
-0.000 |
144.869 |
| Phonon mode at Γ point (THz) |
| 0.000 |
| 0.000 |
| 0.000 |
| 26.129 |
| 46.769 |
| 46.769 |
| Property |
Value |
| from where |
c2db-706 |
