Br2Rh1
MatHub2d-183-Br2Rh1
| Property |
Value |
| Space group |
(164, 'P-3m1') |
| Crystal system |
hexagonal |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-8.538 |
| Free energy / atom (eV) |
-2.846 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.824 | 3.824 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.807 | 3.807 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.376 eV |
| Vacuum level |
1.666 eV |
| VBM |
-3.377 eV |
| CBM |
-3.376 eV |
| Work function |
5.042 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.376 eV |
| Vacuum level |
1.666 eV |
| VBM |
-3.377 eV |
| CBM |
-3.376 eV |
| Work function |
5.042 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
25.358 |
17.311 |
-0.000 |
| yy |
17.311 |
25.358 |
0.000 |
| xy |
-0.000 |
0.000 |
4.023 |
| Phonon mode at Γ point (THz) |
| -0.008 |
| -0.008 |
| 0.001 |
| 1.768 |
| 1.768 |
| 4.359 |
| 4.834 |
| 5.212 |
| 5.212 |
| Property |
Value |
| from where |
c2db-925 |
