Rh2S2
MatHub2d-1867-Rh2S2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-17.559 |
| Free energy / atom (eV) |
-4.390 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.934 | 3.934 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.929 | 3.929 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.861 eV |
| Vacuum level |
1.652 eV |
| VBM |
-2.864 eV |
| CBM |
-2.861 eV |
| Work function |
4.514 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.861 eV |
| Vacuum level |
1.652 eV |
| VBM |
-2.864 eV |
| CBM |
-2.861 eV |
| Work function |
4.514 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
47.138 |
18.922 |
0.000 |
| yy |
18.922 |
47.138 |
0.000 |
| xy |
0.000 |
0.000 |
-22.028 |
| Phonon mode at Γ point (THz) |
| -0.006 |
| -0.006 |
| -0.004 |
| 3.460 |
| 4.251 |
| 4.251 |
| 8.283 |
| 8.646 |
| 8.646 |
| 8.965 |
| 8.965 |
| 9.899 |
| Property |
Value |
| from where |
c2db-802 |
