Mo2Te6
MatHub2d-1625-Mo2Te6
| Property |
Value |
| Space group |
(11, 'P2_1/m') |
| Crystal system |
rectangular |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-35.434 |
| Free energy / atom (eV) |
-4.429 |
Lattice Parameters (basic)
| a, b, c (Å): | 6.535 | 3.391 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 6.414 | 3.542 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.763 eV |
| Vacuum level |
4.054 eV |
| VBM |
-0.763 eV |
| CBM |
-0.763 eV |
| Work function |
4.817 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.763 eV |
| Vacuum level |
4.054 eV |
| VBM |
-0.763 eV |
| CBM |
-0.763 eV |
| Work function |
4.817 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
59.172 |
17.070 |
0.000 |
| yy |
17.070 |
51.314 |
0.000 |
| xy |
0.000 |
0.000 |
6.331 |
| Phonon mode at Γ point (THz) |
| Property |
Value |
| from where |
c2db-1756 |
