Ag2Ba1Ge1S4
MatHub3d-521-Ag2Ba1Ge1S4
| Property | Value |
|---|---|
| Space group | (121, "'I-42m'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 1.08 |
| Total energy (eV) | -31.422 |
| Total energy / atom (eV) | -3.928 |
| a, b, c (Å): | 6.830 | 6.830 | 8.020 |
| α, β, γ(°): | 90.0 | 90.0 | 90.0 |
| a, b, c (Å): | 6.380 | 6.380 | 6.380 |
| α, β, γ(°): | 115.0 | 115.0 | 100.0 |
| n_type (eV): | -1.098 |
| p_type (eV): | 1.434 |
Ag2Ba1Ge1S4
| Property | Value |
|---|---|
| Bulk-modulus | 54.193 GPa |
Ag2Ba1Ge1S4
| Property | Value |
|---|---|
| Band gap | 1.08 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 | -3.63171 |
| Eband_CBM | -4.37772 |
| Property | Value |
|---|---|
| Source | icsd-10040-Ag2Ba1Ge1S4 |