Br2Ga1
MatHub2d-147-Br2Ga1
| Property |
Value |
| Space group |
(187, 'P-6m2') |
| Crystal system |
hexagonal |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-7.443 |
| Free energy / atom (eV) |
-2.481 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.789 | 3.789 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.775 | 3.775 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.913 eV |
| Vacuum level |
1.685 eV |
| VBM |
-3.913 eV |
| CBM |
-3.912 eV |
| Work function |
5.597 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.913 eV |
| Vacuum level |
1.685 eV |
| VBM |
-3.913 eV |
| CBM |
-3.912 eV |
| Work function |
5.597 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
25.702 |
12.311 |
-0.000 |
| yy |
12.311 |
25.702 |
-0.000 |
| xy |
-0.000 |
-0.000 |
6.696 |
| Phonon mode at Γ point (THz) |
| -0.032 |
| -0.032 |
| -0.008 |
| 0.817 |
| 0.817 |
| 2.371 |
| 2.371 |
| 4.275 |
| 6.462 |
| Property |
Value |
| from where |
c2db-999 |
