Co1Te2
MatHub2d-543-Co1Te2
| Property |
Value |
| Space group |
(187, 'P-6m2') |
| Crystal system |
hexagonal |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-9.325 |
| Free energy / atom (eV) |
-3.108 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.613 | 3.613 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.612 | 3.612 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.008 eV |
| Vacuum level |
2.478 eV |
| VBM |
-2.008 eV |
| CBM |
-2.007 eV |
| Work function |
4.486 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.008 eV |
| Vacuum level |
2.478 eV |
| VBM |
-2.008 eV |
| CBM |
-2.007 eV |
| Work function |
4.486 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
43.329 |
10.436 |
-0.000 |
| yy |
10.436 |
43.329 |
0.000 |
| xy |
-0.000 |
0.000 |
16.447 |
| Phonon mode at Γ point (THz) |
| -0.004 |
| -0.003 |
| -0.003 |
| 2.467 |
| 2.467 |
| 3.339 |
| 3.641 |
| 5.947 |
| 5.947 |
| Property |
Value |
| from where |
c2db-462 |
