C2O6Zn2
MatHub3d-19648-C2O6Zn2
| Property | Value |
|---|---|
| Space group | (167, "'R-3c'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 4.10 |
| Total energy (eV) | -64.350 |
| Total energy / atom (eV) | -6.435 |
| a, b, c (Å): | 4.650 | 4.650 | 15.030 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| a, b, c (Å): | 5.640 | 5.640 | 5.640 |
| α, β, γ(°): | 49.0 | 49.0 | 49.0 |
| n_type (eV): | -12.827 |
| p_type (eV): | -9.242 |
C2O6Zn2
| Property | Value |
|---|---|
| Bulk-modulus | 197.107 GPa |
C2O6Zn2
| Property | Value |
|---|---|
| Band gap | 4.10 eV |
| Band degeneracy(CBM) | 2.00 |
| Band degeneracy(VBM) | 3.00 |
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 | -3.76198 |
| Eband_CBM | -7.17616 |
| Property | Value |
|---|---|
| Source | icsd-100679-C2O6Zn2 |