Te4W2
MatHub2d-1714-Te4W2
| Property |
Value |
| Space group |
(11, 'P2_1/m') |
| Crystal system |
rectangular |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-33.950 |
| Free energy / atom (eV) |
-5.658 |
Lattice Parameters (basic)
| a, b, c (Å): | 6.314 | 3.492 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 6.309 | 3.522 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.817 eV |
| Vacuum level |
2.636 eV |
| VBM |
-1.819 eV |
| CBM |
-1.809 eV |
| Work function |
4.453 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.817 eV |
| Vacuum level |
2.636 eV |
| VBM |
-1.819 eV |
| CBM |
-1.809 eV |
| Work function |
4.453 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
112.844 |
29.643 |
-0.000 |
| yy |
29.643 |
81.074 |
-0.000 |
| xy |
-0.000 |
-0.000 |
36.085 |
| Phonon mode at Γ point (THz) |
| Property |
Value |
| from where |
c2db-1954 |
