Cd4Cl2P6
MatHub3d-27155-Cd4Cl2P6
| Property | Value |
|---|---|
| Space group | (15, "'C2/c'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 1.16 |
| Total energy (eV) | -41.848 |
| Total energy / atom (eV) | -3.487 |
| a, b, c (Å): | 7.990 | 8.990 | 7.550 |
| α, β, γ(°): | 90.0 | 101.0 | 90.0 |
| a, b, c (Å): | 6.120 | 6.120 | 7.670 |
| α, β, γ(°): | 97.0 | 97.0 | 97.0 |
| n_type (eV): | -5.292 |
| p_type (eV): | -3.680 |
Cd4Cl2P6
| Property | Value |
|---|---|
| Bulk-modulus | 58.195 GPa |
Cd4Cl2P6
| Property | Value |
|---|---|
| Band gap | 1.16 eV |
| Band degeneracy(CBM) | 2.00 |
| Band degeneracy(VBM) | 2.00 |
n-type Seebeck coefficient (700K)
p-type Seebeck coefficient (700K)
n-type conductivity (700K)
p-type conductivity (700K)
n-type power factor (700K)
p-type power factor (700K)
| Eband_VBM | -3.48745 |
| Eband_CBM | -2.18016 |
| Property | Value |
|---|---|
| Source | icsd-100879-Cd4Cl2P6 |