Os2Se2
MatHub2d-945-Os2Se2
| Property |
Value |
| Space group |
(187, 'P-6m2') |
| Crystal system |
hexagonal |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-21.562 |
| Free energy / atom (eV) |
-5.390 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.850 | 3.850 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.785 | 3.785 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.010 eV |
| Vacuum level |
2.532 eV |
| VBM |
-2.010 eV |
| CBM |
-2.009 eV |
| Work function |
4.541 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.010 eV |
| Vacuum level |
2.532 eV |
| VBM |
-2.010 eV |
| CBM |
-2.009 eV |
| Work function |
4.541 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
34.052 |
-1.132 |
-0.000 |
| yy |
-1.132 |
34.052 |
0.000 |
| xy |
-0.000 |
0.000 |
17.592 |
| Phonon mode at Γ point (THz) |
| -0.002 |
| -0.002 |
| -0.001 |
| 0.060 |
| 0.060 |
| 3.754 |
| 5.921 |
| 7.583 |
| 7.699 |
| 7.699 |
| 7.765 |
| 7.765 |
| Property |
Value |
| from where |
c2db-1668 |
