Rh2S4
MatHub2d-1676-Rh2S4
| Property |
Value |
| Space group |
(11, 'P2_1/m') |
| Crystal system |
rectangular |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-26.571 |
| Free energy / atom (eV) |
-4.429 |
Lattice Parameters (basic)
| a, b, c (Å): | 5.804 | 3.529 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 5.722 | 3.473 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.886 eV |
| Vacuum level |
2.363 eV |
| VBM |
-3.887 eV |
| CBM |
-3.886 eV |
| Work function |
6.250 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.886 eV |
| Vacuum level |
2.363 eV |
| VBM |
-3.887 eV |
| CBM |
-3.886 eV |
| Work function |
6.250 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
68.351 |
17.582 |
-0.000 |
| yy |
17.582 |
76.078 |
-0.000 |
| xy |
-0.000 |
-0.000 |
3.527 |
| Phonon mode at Γ point (THz) |
| Property |
Value |
| from where |
c2db-1919 |
