Os2Se2
MatHub2d-1848-Os2Se2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
|
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-22.600 |
| Free energy / atom (eV) |
-5.650 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.975 | 3.975 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.974 | 3.974 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.235 eV |
| Vacuum level |
1.808 eV |
| VBM |
-2.236 eV |
| CBM |
-2.232 eV |
| Work function |
4.042 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.235 eV |
| Vacuum level |
1.808 eV |
| VBM |
-2.236 eV |
| CBM |
-2.232 eV |
| Work function |
4.042 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
80.363 |
39.259 |
0.000 |
| yy |
39.259 |
80.363 |
0.000 |
| xy |
0.000 |
0.000 |
55.939 |
| Phonon mode at Γ point (THz) |
| -0.001 |
| -0.001 |
| -0.000 |
| 3.371 |
| 3.371 |
| 4.367 |
| 6.828 |
| 6.828 |
| 6.884 |
| 6.884 |
| 7.110 |
| 8.068 |
| Property |
Value |
| from where |
c2db-787 |
