Ag1Al1S2
MatHub3d-139-Ag1Al1S2
| Property | Value |
|---|---|
| Space group | (156, "'P3m1'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 1.94 |
| Total energy (eV) | -15.928 |
| Total energy / atom (eV) | -3.982 |
| a, b, c (Å): | 3.540 | 3.540 | 6.900 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| a, b, c (Å): | 3.550 | 3.550 | 6.860 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| n_type (eV): | -9.827 |
| p_type (eV): | -5.262 |
Ag1Al1S2
| Property | Value |
|---|---|
| Bulk-modulus | 78.304 GPa |
Ag1Al1S2
| Property | Value |
|---|---|
| Band gap | 1.94 eV |
| Band degeneracy(CBM) | 1.00 |
| Band degeneracy(VBM) | 6.00 |
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 | -8.22831 |
| Eband_CBM | -2.29534 |
| Property | Value |
|---|---|
| Source | mp-7885-Ag1Al1S2 |