Cu2P2Th1
MatHub3d-38748-Cu2P2Th1
| Property | Value |
|---|---|
| Space group | (164, "'P-3m1'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 0.27 |
| Total energy (eV) | -26.884 |
| Total energy / atom (eV) | -5.377 |
| a, b, c (Å): | 4.030 | 4.030 | 6.470 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| a, b, c (Å): | 4.030 | 4.030 | 6.470 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| n_type (eV): | 4.635 |
| p_type (eV): | 3.281 |
Cu2P2Th1
| Property | Value |
|---|---|
| Bulk-modulus | 111.641 GPa |
Cu2P2Th1
| Property | Value |
|---|---|
| Band gap | 0.27 eV |
| Band degeneracy(CBM) | 0.00 |
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 | -7.33445 |
| Eband_CBM | -5.37747 |
| Property | Value |
|---|---|
| Source | icsd-100270-Cu2P2Th1 |