As2Cu1O8Zn2
MatHub3d-5491-As2Cu1O8Zn2
| Property | Value |
|---|---|
| Space group | (2, "'P-1'") |
| Magnetic | True |
| Magnetic moment (μB) | 1.01 |
| Band gap (PBE) (eV) | 1.66 |
| Total energy (eV) | -69.414 |
| Total energy / atom (eV) | -5.340 |
| a, b, c (Å): | 5.090 | 5.300 | 6.700 |
| α, β, γ(°): | 70.0 | 87.0 | 68.0 |
| a, b, c (Å): | 5.130 | 5.330 | 6.730 |
| α, β, γ(°): | 70.0 | 88.0 | 67.0 |
| n_type (eV): | -14.650 |
| p_type (eV): | -8.718 |
As2Cu1O8Zn2
| Property | Value |
|---|---|
| Bulk-modulus | 148.463 GPa |
As2Cu1O8Zn2
| Property | Value |
|---|---|
| Band gap | 1.66 eV |
| Band degeneracy(CBM) | 0.00 |
| Band degeneracy(VBM) | 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)
| Property | Value |
|---|---|
| Source | icsd-100249-As2Cu1O8Zn2 |