As2Ca1Mg2
MatHub3d-5398-As2Ca1Mg2
| Property | Value |
|---|---|
| Space group | (164, "'P-3m1'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 1.26 |
| Total energy (eV) | -19.027 |
| Total energy / atom (eV) | -3.805 |
| a, b, c (Å): | 4.340 | 4.340 | 7.130 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| a, b, c (Å): | 4.380 | 4.380 | 7.150 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| n_type (eV): | 4.035 |
| p_type (eV): | 3.293 |
As2Ca1Mg2
| Property | Value |
|---|---|
| Bulk-modulus | 52.546 GPa |
As2Ca1Mg2
| Property | Value |
|---|---|
| Band gap | 1.26 eV |
| Band degeneracy(CBM) | 3.00 |
| Band degeneracy(VBM) | 1.00 |
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 | -0.74964 |
| Eband_CBM | -1.96865 |
| Property | Value |
|---|---|
| Source | icsd-100041-As2Ca1Mg2 |