Cd1Cl2
MatHub2d-390-Cd1Cl2
| Property | Value |
|---|---|
| Space group | (187, 'P-6m2') |
| Crystal system | hexagonal |
| Magnetic | No |
| Band gap (PBE) (eV) | 3.17 |
| Free energy (eV) | -6.980 |
| Free energy / atom (eV) | -2.327 |
| a, b, c (Å): | 3.735 | 3.735 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| a, b, c (Å): | 3.735 | 3.735 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Cd1Cl2
Cd1Cl2
| Property | Value |
|---|---|
| Band gap | 3.17 eV |
| E-fermi | -6.202 eV |
| VBM | -6.460 eV |
| CBM | -3.290 eV |
| Free energy (eV) | -7.008 |
| Free energy / atom (eV) | -2.336 |
Cd1Cl2
| Property | Value |
|---|---|
| Band gap | 3.17 eV |
| E-fermi | -6.202 eV |
| Vacuum level | 1.534 eV |
| VBM | -6.456 eV |
| CBM | -3.289 eV |
| Work function | 7.736 eV |
| Cij (N/m) | xx | yy | xy |
| xx | 40.892 | 16.177 | -0.000 |
| yy | 16.177 | 40.892 | -0.000 |
| xy | -0.000 | -0.000 | 12.358 |
| Phonon mode at Γ point (THz) |
|---|
| -1.417 |
| -1.417 |
| -0.007 |
| -0.001 |
| -0.001 |
| 3.807 |
| 3.807 |
| 7.095 |
| 7.522 |
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | c2db-983 |