Ag1Au1Cl6Cs2
MatHub3d-149-Ag1Au1Cl6Cs2
| Property | Value |
|---|---|
| Space group | (139, "'I4/mmm'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 1.16 |
| Total energy (eV) | -26.082 |
| Total energy / atom (eV) | -2.608 |
| a, b, c (Å): | 7.380 | 7.380 | 11.010 |
| α, β, γ(°): | 90.0 | 90.0 | 90.0 |
| a, b, c (Å): | 7.470 | 7.470 | 11.490 |
| α, β, γ(°): | 90.0 | 90.0 | 90.0 |
| n_type (eV): | -2.098 |
| p_type (eV): | -0.344 |
Ag1Au1Cl6Cs2
| Property | Value |
|---|---|
| Bulk-modulus | 27.299 GPa |
Ag1Au1Cl6Cs2
| Property | Value |
|---|---|
| Band gap | 1.16 eV |
| Band degeneracy(CBM) | 4.00 |
| Band degeneracy(VBM) | 4.00 |
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 | -0.77839 |
| Eband_CBM | -3.83722 |
| Property | Value |
|---|---|
| Source | icsd-26162-Ag1Au1Cl6Cs2 |