Te6V2
MatHub2d-1717-Te6V2
| Property |
Value |
| Space group |
(11, 'P2_1/m') |
| Crystal system |
rectangular |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-33.799 |
| Free energy / atom (eV) |
-4.225 |
Lattice Parameters (basic)
| a, b, c (Å): | 6.210 | 3.563 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 6.166 | 3.738 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.086 eV |
| Vacuum level |
3.624 eV |
| VBM |
-1.086 eV |
| CBM |
-1.085 eV |
| Work function |
4.710 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.086 eV |
| Vacuum level |
3.624 eV |
| VBM |
-1.086 eV |
| CBM |
-1.085 eV |
| Work function |
4.710 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
4.820 |
2.706 |
0.000 |
| yy |
2.706 |
57.715 |
0.000 |
| xy |
0.000 |
0.000 |
3.310 |
| Phonon mode at Γ point (THz) |
| Property |
Value |
| from where |
c2db-1806 |
