Br6In2
MatHub2d-223-Br6In2
| Property | Value |
|---|---|
| Space group | (189, 'P-62m') |
| Crystal system | hexagonal |
| Magnetic | No |
| Band gap (PBE) (eV) | 2.18 |
| Free energy (eV) | -20.722 |
| Free energy / atom (eV) | -2.590 |
| a, b, c (Å): | 7.224 | 7.224 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| a, b, c (Å): | 7.203 | 7.203 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Br6In2
Br6In2
| Property | Value |
|---|---|
| Band gap | 2.18 eV |
| E-fermi | -5.387 eV |
| Vacuum level | 1.416 eV |
| VBM | -5.667 eV |
| CBM | -3.490 eV |
| Work function | 6.803 eV |
| Cij (N/m) | xx | yy | xy |
| xx | 10.863 | -4.994 | 0.000 |
| yy | -4.994 | 10.863 | 0.000 |
| xy | 0.000 | 0.000 | 7.928 |
| Phonon mode at Γ point (THz) |
|---|
| -1.055 |
| -0.965 |
| -0.965 |
| -0.013 |
| -0.013 |
| 0.004 |
| 1.016 |
| 1.749 |
| 2.399 |
| 2.399 |
| 2.441 |
| 2.441 |
| 3.122 |
| 3.122 |
| 3.274 |
| 3.274 |
| 3.997 |
| 3.997 |
| 4.878 |
| 4.884 |
| 5.046 |
| 5.376 |
| 5.376 |
| 6.425 |
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | c2db-1264 |