Ac2Br2O2
MatHub3d-74-Ac2Br2O2
| Property | Value |
|---|---|
| Space group | (129, "'P4/nmm'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 4.26 |
| Total energy (eV) | -39.256 |
| Total energy / atom (eV) | -6.543 |
| a, b, c (Å): | 4.280 | 4.280 | 7.410 |
| α, β, γ(°): | 90.0 | 90.0 | 90.0 |
| a, b, c (Å): | 4.310 | 4.310 | 7.680 |
| α, β, γ(°): | 90.0 | 90.0 | 90.0 |
| n_type (eV): | 4.862 |
| p_type (eV): | 4.161 |
Ac2Br2O2
| Property | Value |
|---|---|
| Bulk-modulus | 77.123 GPa |
Ac2Br2O2
| Property | Value |
|---|---|
| Band gap | 4.26 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 | -13.87639 |
| Eband_CBM | -0.70527 |
| Property | Value |
|---|---|
| Source | icsd-31660-Ac2Br2O2 |