Ag1Cl1O4
MatHub3d-211-Ag1Cl1O4
| Property | Value |
|---|---|
| Space group | (121, "'I-42m'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 3.64 |
| Total energy (eV) | -22.833 |
| Total energy / atom (eV) | -3.805 |
| a, b, c (Å): | 4.980 | 4.980 | 6.750 |
| α, β, γ(°): | 90.0 | 90.0 | 90.0 |
| a, b, c (Å): | 5.040 | 5.040 | 6.880 |
| α, β, γ(°): | 90.0 | 90.0 | 90.0 |
| n_type (eV): | -16.159 |
| p_type (eV): | -11.390 |
Ag1Cl1O4
| Property | Value |
|---|---|
| Bulk-modulus | 91.250 GPa |
Ag1Cl1O4
| Property | Value |
|---|---|
| Band gap | 3.64 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 | -3.40637 |
| Eband_CBM | -4.80283 |
| Property | Value |
|---|---|
| Source | icsd-100280-Ag1Cl1O4 |