Os2Te6
MatHub2d-1660-Os2Te6
| Property |
Value |
| Space group |
(11, 'P2_1/m') |
| Crystal system |
rectangular |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-34.179 |
| Free energy / atom (eV) |
-4.272 |
Lattice Parameters (basic)
| a, b, c (Å): | 6.172 | 3.760 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 6.287 | 3.723 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.192 eV |
| Vacuum level |
3.532 eV |
| VBM |
-1.193 eV |
| CBM |
-1.192 eV |
| Work function |
4.724 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.192 eV |
| Vacuum level |
3.532 eV |
| VBM |
-1.193 eV |
| CBM |
-1.192 eV |
| Work function |
4.724 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
37.620 |
-0.535 |
-0.000 |
| yy |
-0.535 |
37.395 |
0.000 |
| xy |
-0.000 |
0.000 |
0.316 |
| Phonon mode at Γ point (THz) |
| -0.118 |
| -0.051 |
| -0.033 |
| -0.017 |
| 1.007 |
| 1.479 |
| 1.841 |
| 2.368 |
| 2.421 |
| 2.558 |
| 2.570 |
| 2.638 |
| 3.144 |
| 3.362 |
| 3.392 |
| 3.848 |
| 4.334 |
| 4.631 |
| 4.933 |
| 5.011 |
| 5.148 |
| 5.201 |
| 5.244 |
| 5.309 |
| Property |
Value |
| from where |
c2db-1769 |
