Ag1Br2
MatHub2d-4-Ag1Br2
| Property |
Value |
| Space group |
(187, 'P-6m2') |
| Crystal system |
hexagonal |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-4.578 |
| Free energy / atom (eV) |
-1.526 |
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): | 3.832 | 3.832 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-5.060 eV |
| Vacuum level |
1.917 eV |
| VBM |
-5.060 eV |
| CBM |
-5.060 eV |
| Work function |
6.977 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-5.060 eV |
| Vacuum level |
1.917 eV |
| VBM |
-5.060 eV |
| CBM |
-5.060 eV |
| Work function |
6.977 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
15.344 |
12.423 |
0.000 |
| yy |
12.423 |
15.344 |
-0.000 |
| xy |
0.000 |
-0.000 |
1.461 |
| Phonon mode at Γ point (THz) |
| -2.767 |
| -2.767 |
| -0.002 |
| 0.009 |
| 0.009 |
| 0.832 |
| 0.832 |
| 3.728 |
| 3.885 |
| Property |
Value |
| from where |
c2db-965 |
