Cl6Rh2
MatHub2d-502-Cl6Rh2
| Property | Value |
|---|---|
| Space group | (162, 'P-31m') |
| Crystal system | hexagonal |
| Magnetic | No |
| Band gap (PBE) (eV) | 2.38 |
| Free energy (eV) | -25.581 |
| Free energy / atom (eV) | -3.198 |
| a, b, c (Å): | 6.090 | 6.090 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| a, b, c (Å): | 6.066 | 6.066 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Cl6Rh2
Cl6Rh2
| Property | Value |
|---|---|
| Band gap | 2.38 eV |
| E-fermi | -5.177 eV |
| Vacuum level | 1.662 eV |
| VBM | -5.460 eV |
| CBM | -3.080 eV |
| Work function | 6.840 eV |
| Cij (N/m) | xx | yy | xy |
| xx | 40.061 | 12.711 | -0.000 |
| yy | 12.711 | 40.061 | -0.000 |
| xy | -0.000 | -0.000 | 13.675 |
| Phonon mode at Γ point (THz) |
|---|
| -0.006 |
| -0.006 |
| -0.004 |
| 3.544 |
| 3.583 |
| 3.583 |
| 4.339 |
| 4.615 |
| 4.615 |
| 4.897 |
| 5.674 |
| 5.674 |
| 7.779 |
| 7.779 |
| 7.833 |
| 7.833 |
| 8.313 |
| 8.612 |
| 8.668 |
| 8.668 |
| 8.903 |
| 9.061 |
| 9.061 |
| 9.331 |
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Carrier type | C2D (N/m) | Edef (eV) | μ (cm2V-1s-1) | |||
|---|---|---|---|---|---|---|
| x | y | x | y | x | y | |
| hole | 39.38 | 39.27 | -0.63 | -1.49 | -102.24 | -17.92 |
| electron | -4.21 | -2.59 | 1.98 | 5.22 | ||
| Property | Value |
|---|---|
| from where | c2db-1179 |