Bi2Ca1Mg2
MatHub3d-15766-Bi2Ca1Mg2
| Property | Value |
|---|---|
| Space group | (164, "'P-3m1'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 0.42 |
| Total energy (eV) | -15.493 |
| Total energy / atom (eV) | -3.099 |
| a, b, c (Å): | 4.730 | 4.730 | 7.680 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| a, b, c (Å): | 4.790 | 4.790 | 7.720 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| n_type (eV): | -1.394 |
| p_type (eV): | 2.399 |
Bi2Ca1Mg2
| Property | Value |
|---|---|
| Bulk-modulus | 36.615 GPa |
Bi2Ca1Mg2
| Property | Value |
|---|---|
| Band gap | 0.42 eV |
| Band degeneracy(CBM) | 1.00 |
| 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 | -1.00228 |
| Eband_CBM | -0.64235 |
| Property | Value |
|---|---|
| Source | icsd-100048-Bi2Ca1Mg2 |