Co2S2
MatHub2d-1760-Co2S2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-15.492 |
| Free energy / atom (eV) |
-3.873 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.639 | 3.639 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.695 | 3.695 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.351 eV |
| Vacuum level |
1.909 eV |
| VBM |
-3.357 eV |
| CBM |
-3.350 eV |
| Work function |
5.261 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.351 eV |
| Vacuum level |
1.909 eV |
| VBM |
-3.357 eV |
| CBM |
-3.350 eV |
| Work function |
5.261 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
56.082 |
12.418 |
0.000 |
| yy |
12.418 |
56.082 |
0.000 |
| xy |
0.000 |
0.000 |
0.009 |
| Phonon mode at Γ point (THz) |
| -0.002 |
| -0.002 |
| -0.002 |
| 5.281 |
| 5.281 |
| 6.217 |
| 10.610 |
| 10.636 |
| 11.631 |
| 11.631 |
| 11.750 |
| 11.750 |
| Property |
Value |
| from where |
c2db-737 |
