Br2In1
MatHub2d-158-Br2In1
| Property |
Value |
| Space group |
(187, 'P-6m2') |
| Crystal system |
hexagonal |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-7.358 |
| Free energy / atom (eV) |
-2.453 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.100 | 4.100 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.097 | 4.097 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.866 eV |
| Vacuum level |
1.940 eV |
| VBM |
-3.867 eV |
| CBM |
-3.866 eV |
| Work function |
5.807 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.866 eV |
| Vacuum level |
1.940 eV |
| VBM |
-3.867 eV |
| CBM |
-3.866 eV |
| Work function |
5.807 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
14.597 |
9.291 |
-0.000 |
| yy |
9.291 |
14.597 |
-0.000 |
| xy |
-0.000 |
-0.000 |
2.653 |
| Phonon mode at Γ point (THz) |
| -0.027 |
| -0.027 |
| -0.004 |
| 0.980 |
| 0.980 |
| 2.251 |
| 2.251 |
| 3.668 |
| 5.003 |
| Property |
Value |
| from where |
c2db-1007 |
