Nb2Te6
MatHub2d-1632-Nb2Te6
| Property |
Value |
| Space group |
(59, 'Pmmn') |
| Crystal system |
rectangular |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-37.961 |
| Free energy / atom (eV) |
-4.745 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.694 | 5.942 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.720 | 5.955 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.410 eV |
| Vacuum level |
4.074 eV |
| VBM |
-0.410 eV |
| CBM |
-0.409 eV |
| Work function |
4.484 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.410 eV |
| Vacuum level |
4.074 eV |
| VBM |
-0.410 eV |
| CBM |
-0.409 eV |
| Work function |
4.484 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
74.164 |
23.369 |
0.000 |
| yy |
23.369 |
120.353 |
0.000 |
| xy |
0.000 |
0.000 |
19.884 |
| Phonon mode at Γ point (THz) |
| -0.002 |
| -0.002 |
| -0.000 |
| 0.376 |
| 1.662 |
| 1.755 |
| 1.799 |
| 2.207 |
| 2.486 |
| 2.606 |
| 2.716 |
| 2.870 |
| 3.076 |
| 3.258 |
| 3.319 |
| 3.843 |
| 4.712 |
| 5.093 |
| 5.121 |
| 5.234 |
| 5.533 |
| 5.569 |
| 6.599 |
| 6.644 |
| Property |
Value |
| from where |
c2db-1760 |
