Rh2Se4
MatHub2d-1678-Rh2Se4
| Property |
Value |
| Space group |
(11, 'P2_1/m') |
| Crystal system |
rectangular |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-24.385 |
| Free energy / atom (eV) |
-4.064 |
Lattice Parameters (basic)
| a, b, c (Å): | 6.049 | 3.639 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 6.016 | 3.554 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.464 eV |
| Vacuum level |
1.994 eV |
| VBM |
-3.466 eV |
| CBM |
-3.460 eV |
| Work function |
5.458 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.464 eV |
| Vacuum level |
1.994 eV |
| VBM |
-3.466 eV |
| CBM |
-3.460 eV |
| Work function |
5.458 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
46.808 |
14.423 |
-0.000 |
| yy |
14.423 |
50.653 |
0.000 |
| xy |
-0.000 |
0.000 |
7.380 |
| Phonon mode at Γ point (THz) |
| Property |
Value |
| from where |
c2db-1920 |
