Os2Te2
MatHub2d-1849-Os2Te2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-21.357 |
| Free energy / atom (eV) |
-5.339 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.088 | 4.088 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.108 | 4.108 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.699 eV |
| Vacuum level |
2.112 eV |
| VBM |
-1.700 eV |
| CBM |
-1.695 eV |
| Work function |
3.811 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.699 eV |
| Vacuum level |
2.112 eV |
| VBM |
-1.700 eV |
| CBM |
-1.695 eV |
| Work function |
3.811 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
65.913 |
19.996 |
0.000 |
| yy |
19.996 |
65.913 |
0.000 |
| xy |
0.000 |
0.000 |
38.861 |
| Phonon mode at Γ point (THz) |
| -0.002 |
| -0.002 |
| 0.001 |
| 2.265 |
| 2.265 |
| 4.564 |
| 5.585 |
| 5.948 |
| 5.948 |
| 6.074 |
| 6.074 |
| 7.123 |
| Property |
Value |
| from where |
c2db-788 |
