Co1Te2
MatHub2d-542-Co1Te2
| Property |
Value |
| Space group |
(164, 'P-3m1') |
| Crystal system |
hexagonal |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-9.674 |
| Free energy / atom (eV) |
-3.225 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.675 | 3.675 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.711 | 3.711 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.410 eV |
| Vacuum level |
2.588 eV |
| VBM |
-2.411 eV |
| CBM |
-2.405 eV |
| Work function |
4.998 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.410 eV |
| Vacuum level |
2.588 eV |
| VBM |
-2.411 eV |
| CBM |
-2.405 eV |
| Work function |
4.998 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
25.412 |
-2.773 |
-0.000 |
| yy |
-2.773 |
25.412 |
-0.000 |
| xy |
-0.000 |
-0.000 |
14.093 |
| Phonon mode at Γ point (THz) |
| -0.008 |
| -0.008 |
| -0.005 |
| 3.069 |
| 3.069 |
| 3.513 |
| 5.009 |
| 5.239 |
| 5.239 |
| Property |
Value |
| from where |
shu-11 |
