Ba1Mg2Sb2
MatHub3d-12099-Ba1Mg2Sb2
| Property | Value |
|---|---|
| Space group | (164, "'P-3m1'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 0.85 |
| Total energy (eV) | -17.063 |
| Total energy / atom (eV) | -3.413 |
| a, b, c (Å): | 4.770 | 4.770 | 8.100 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| a, b, c (Å): | 4.820 | 4.820 | 8.210 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| n_type (eV): | 3.636 |
| p_type (eV): | 2.574 |
Ba1Mg2Sb2
| Property | Value |
|---|---|
| Bulk-modulus | 37.353 GPa |
Ba1Mg2Sb2
| Property | Value |
|---|---|
| Band gap | 0.85 eV |
| Band degeneracy(CBM) | 3.00 |
| 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 | -1.77469 |
| Eband_CBM | -2.11244 |
| Property | Value |
|---|---|
| Source | icsd-100047-Ba1Mg2Sb2 |