Ac2Cl2O2
MatHub3d-78-Ac2Cl2O2
| Property | Value |
|---|---|
| Space group | (129, "'P4/nmm'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 4.45 |
| Total energy (eV) | -40.652 |
| Total energy / atom (eV) | -6.775 |
| a, b, c (Å): | 4.250 | 4.250 | 7.080 |
| α, β, γ(°): | 90.0 | 90.0 | 90.0 |
| a, b, c (Å): | 4.270 | 4.270 | 7.160 |
| α, β, γ(°): | 90.0 | 90.0 | 90.0 |
| n_type (eV): | 4.949 |
| p_type (eV): | 5.460 |
Ac2Cl2O2
| Property | Value |
|---|---|
| Bulk-modulus | 83.217 GPa |
Ac2Cl2O2
| Property | Value |
|---|---|
| Band gap | 4.45 eV |
| Band degeneracy(CBM) | 1.00 |
| Band degeneracy(VBM) | 4.00 |
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 | -12.24687 |
| Eband_CBM | -1.04106 |
| Property | Value |
|---|---|
| Source | icsd-31659-Ac2Cl2O2 |