As2Ca1Cd2
MatHub3d-5393-As2Ca1Cd2
| Property | Value |
|---|---|
| Space group | (164, "'P-3m1'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 0.26 |
| Total energy (eV) | -14.941 |
| Total energy / atom (eV) | -2.988 |
| a, b, c (Å): | 4.390 | 4.390 | 7.180 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| a, b, c (Å): | 4.450 | 4.450 | 7.240 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| n_type (eV): | -0.774 |
| p_type (eV): | 2.230 |
As2Ca1Cd2
| Property | Value |
|---|---|
| Bulk-modulus | 52.990 GPa |
As2Ca1Cd2
| Property | Value |
|---|---|
| Band gap | 0.26 eV |
| Band degeneracy(CBM) | 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)
| Eband_VBM | -0.85214 |
| Eband_CBM | -0.08233 |
| Property | Value |
|---|---|
| Source | icsd-100065-As2Ca1Cd2 |