Ag4O4
MatHub3d-1089-Ag4O4
| Property | Value |
|---|---|
| Space group | (14, "'P2_1/c'") |
| Magnetic | FALSE |
| Band gap (PBE) (eV) | 0.35 |
| Total energy (eV) | -24.052 |
| Total energy / atom (eV) | -3.006 |
| a, b, c (Å): | 5.850 | 3.470 | 5.480 |
| α, β, γ(°): | 90.0 | 108.0 | 90.0 |
| a, b, c (Å): | 5.700 | 3.620 | 5.490 | ||
| α, β, γ(°): | 90.0 | 105.0 | 90.0 |
| n_type (eV): | -7.517 |
| p_type (eV): | -6.252 |
Ag4O4
| Property | Value |
|---|---|
| Bulk-modulus | 104.378 GPa |
Ag4O4
| LDAUL | 2 -1 | LDAUU | 5.8 0 | LDAUJ | 0 0 |
| Property | Value |
|---|---|
| Band gap | 0.35 eV |
| Band degeneracy(CBM) | 2.00 |
| 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 | -13.065 |
| Eband_CBM | -9.25113 |
| Property | Value |
|---|---|
| Source | icsd-69095-Ag4O4 |