Ca1Cd2P2
MatHub3d-24735-Ca1Cd2P2
| Property | Value |
|---|---|
| Space group | (164, "'P-3m1'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 0.89 |
| Total energy (eV) | -16.281 |
| Total energy / atom (eV) | -3.256 |
| a, b, c (Å): | 4.280 | 4.280 | 7.030 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| a, b, c (Å): | 4.320 | 4.320 | 7.070 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| n_type (eV): | -1.038 |
| p_type (eV): | 2.455 |
Ca1Cd2P2
| Property | Value |
|---|---|
| Bulk-modulus | 60.259 GPa |
Ca1Cd2P2
| Property | Value |
|---|---|
| Band gap | 0.89 eV |
| Band degeneracy(CBM) | 1.00 |
| 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 | -0.68812 |
| Eband_CBM | -1.14331 |
| Property | Value |
|---|---|
| Source | icsd-100063-Ca1Cd2P2 |