O12Sb4Tl4
MatHub3d-69082-O12Sb4Tl4
| Property | Value |
|---|---|
| Space group | (182, "'P6_322'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 2.48 |
| Total energy (eV) | -108.083 |
| Total energy / atom (eV) | -5.404 |
| a, b, c (Å): | 5.310 | 5.310 | 14.250 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| a, b, c (Å): | 5.400 | 5.400 | 17.280 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| n_type (eV): | -13.694 |
| p_type (eV): | -10.191 |
O12Sb4Tl4
| Property | Value |
|---|---|
| Bulk-modulus | 81.354 GPa |
O12Sb4Tl4
| Property | Value |
|---|---|
| Band gap | 2.48 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 | -5.58722 |
| Eband_CBM | -10.05914 |
| Property | Value |
|---|---|
| Source | icsd-10142-O12Sb4Tl4 |