Rh2Se6
MatHub2d-1679-Rh2Se6
| Property |
Value |
| Space group |
(11, 'P2_1/m') |
| Crystal system |
rectangular |
| Magnetic |
|
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-30.495 |
| Free energy / atom (eV) |
-3.812 |
Lattice Parameters (basic)
| a, b, c (Å): | 5.399 | 3.540 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 5.452 | 3.502 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.065 eV |
| Vacuum level |
3.261 eV |
| VBM |
-2.066 eV |
| CBM |
-2.065 eV |
| Work function |
5.326 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.065 eV |
| Vacuum level |
3.261 eV |
| VBM |
-2.066 eV |
| CBM |
-2.065 eV |
| Work function |
5.326 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
14.205 |
2.274 |
0.000 |
| yy |
2.274 |
65.472 |
0.000 |
| xy |
0.000 |
0.000 |
4.509 |
| Phonon mode at Γ point (THz) |
| -1.502 |
| -1.502 |
| -0.012 |
| -0.004 |
| 0.004 |
| 0.314 |
| 0.852 |
| 1.166 |
| 1.195 |
| 1.707 |
| 2.389 |
| 3.566 |
| 4.447 |
| 4.662 |
| 4.665 |
| 5.308 |
| 5.732 |
| 5.887 |
| 6.078 |
| 6.099 |
| 6.649 |
| 6.948 |
| 9.033 |
| 9.036 |
| Property |
Value |
| from where |
c2db-1785 |
