Te2W2
MatHub2d-1908-Te2W2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-26.233 |
| Free energy / atom (eV) |
-6.558 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.900 | 3.900 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.894 | 3.894 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.184 eV |
| Vacuum level |
2.231 eV |
| VBM |
-1.185 eV |
| CBM |
-1.176 eV |
| Work function |
3.415 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.184 eV |
| Vacuum level |
2.231 eV |
| VBM |
-1.185 eV |
| CBM |
-1.176 eV |
| Work function |
3.415 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
66.481 |
96.603 |
-0.000 |
| yy |
96.603 |
66.481 |
0.000 |
| xy |
-0.000 |
0.000 |
37.062 |
| Phonon mode at Γ point (THz) |
| -0.001 |
| 0.000 |
| 0.000 |
| 1.648 |
| 1.648 |
| 4.499 |
| 4.499 |
| 4.555 |
| 4.555 |
| 5.201 |
| 5.220 |
| 6.725 |
| Property |
Value |
| from where |
c2db-833 |
