As2Ca1Zn2
MatHub3d-5404-As2Ca1Zn2
| Property | Value |
|---|---|
| Space group | (164, "'P-3m1'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 0.72 |
| Total energy (eV) | -15.615 |
| Total energy / atom (eV) | -3.123 |
| a, b, c (Å): | 4.160 | 4.160 | 7.010 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| a, b, c (Å): | 4.170 | 4.170 | 7.010 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| n_type (eV): | -0.375 |
| p_type (eV): | 2.396 |
As2Ca1Zn2
| Property | Value |
|---|---|
| Bulk-modulus | 60.494 GPa |
As2Ca1Zn2
| Property | Value |
|---|---|
| Band gap | 0.72 eV |
| Band degeneracy(CBM) | 2.00 |
| 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 | -0.5741 |
| Eband_CBM | -2.17422 |
| Property | Value |
|---|---|
| Source | icsd-100064-As2Ca1Zn2 |