Br2Re1
MatHub2d-182-Br2Re1
| Property |
Value |
| Space group |
(187, 'P-6m2') |
| Crystal system |
hexagonal |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-11.225 |
| Free energy / atom (eV) |
-3.742 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.245 | 3.245 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.571 | 3.571 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.203 eV |
| Vacuum level |
2.759 eV |
| VBM |
-2.203 eV |
| CBM |
-2.202 eV |
| Work function |
4.962 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.203 eV |
| Vacuum level |
2.759 eV |
| VBM |
-2.203 eV |
| CBM |
-2.202 eV |
| Work function |
4.962 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
4.836 |
5.997 |
-0.000 |
| yy |
5.997 |
4.836 |
-0.000 |
| xy |
-0.000 |
-0.000 |
-0.580 |
| Phonon mode at Γ point (THz) |
| -4.762 |
| -3.852 |
| -3.852 |
| -1.660 |
| -1.660 |
| 0.001 |
| 0.001 |
| 0.001 |
| 4.381 |
| Property |
Value |
| from where |
c2db-1046 |
