Te6Ti2
MatHub2d-1716-Te6Ti2
| Property |
Value |
| Space group |
(59, 'Pmmn') |
| Crystal system |
rectangular |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-32.113 |
| Free energy / atom (eV) |
-4.014 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.748 | 5.928 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.786 | 5.953 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.879 eV |
| Vacuum level |
3.754 eV |
| VBM |
-0.882 eV |
| CBM |
-0.878 eV |
| Work function |
4.633 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.879 eV |
| Vacuum level |
3.754 eV |
| VBM |
-0.882 eV |
| CBM |
-0.878 eV |
| Work function |
4.633 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
59.005 |
9.753 |
-0.000 |
| yy |
9.753 |
104.965 |
-0.000 |
| xy |
-0.000 |
-0.000 |
14.272 |
| Phonon mode at Γ point (THz) |
| Property |
Value |
| from where |
c2db-1801 |
