Os2S2
MatHub2d-1847-Os2S2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
|
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-24.520 |
| Free energy / atom (eV) |
-6.130 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.902 | 3.902 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.904 | 3.904 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.681 eV |
| Vacuum level |
1.223 eV |
| VBM |
-2.682 eV |
| CBM |
-2.680 eV |
| Work function |
3.904 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.681 eV |
| Vacuum level |
1.223 eV |
| VBM |
-2.682 eV |
| CBM |
-2.680 eV |
| Work function |
3.904 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
96.552 |
66.151 |
0.000 |
| yy |
66.151 |
96.552 |
0.000 |
| xy |
0.000 |
0.000 |
77.273 |
| Phonon mode at Γ point (THz) |
| -0.002 |
| 0.001 |
| 0.001 |
| 4.182 |
| 4.991 |
| 4.991 |
| 9.814 |
| 9.814 |
| 9.891 |
| 9.891 |
| 10.867 |
| 11.594 |
| Property |
Value |
| from where |
c2db-786 |
