Ag4S2
MatHub3d-1110-Ag4S2
| Property | Value |
|---|---|
| Space group | (11, "'P2_1/m'") |
| Magnetic | FALSE |
| Band gap (PBE) (eV) | 1.35 |
| Total energy (eV) | -12.925 |
| Total energy / atom (eV) | -2.154 |
| a, b, c (Å): | 4.220 | 7.550 | 4.240 |
| α, β, γ(°): | 90.0 | 111.0 | 90.0 |
| a, b, c (Å): | 4.260 | 7.720 | 4.260 | ||
| α, β, γ(°): | 90.0 | 113.0 | 90.0 |
| n_type (eV): | -8.343 |
| p_type (eV): | -5.986 |
Ag4S2
| Property | Value |
|---|---|
| Bulk-modulus | 50.557 GPa |
Ag4S2
| LDAUL | 2 -1 | LDAUU | 5.8 0 | LDAUJ | 0 0 |
| Property | Value |
|---|---|
| Band gap | 1.35 eV |
| Band degeneracy(CBM) | 1.00 |
| Band degeneracy(VBM) | 8.00 |
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 | -5.86292 |
| Eband_CBM | -4.0755 |
| Property | Value |
|---|---|
| Source | mp-556225-Ag4S2 |