Ac1Li1Te2
MatHub3d-42-Ac1Li1Te2
| Property | Value |
|---|---|
| Space group | (225, "'Fm-3m'") |
| Magnetic | FALSE |
| Band gap (PBE) (eV) | 0.54 |
| Total energy (eV) | -17.107 |
| Total energy / atom (eV) | -4.277 |
| a, b, c (Å): | 5.600 | 5.600 | 5.600 |
| α, β, γ(°): | 60.0 | 60.0 | 60.0 |
| a, b, c (Å): | 5.600 | 5.600 | 5.600 |
| α, β, γ(°): | 60.0 | 60.0 | 60.0 |
| n_type (eV): | 2.118 |
| p_type (eV): | 1.139 |
Ac1Li1Te2
| Property | Value |
|---|---|
| Bulk-modulus | 41.079 GPa |
Ac1Li1Te2
| LDAU | 0 0 0 |
| Property | Value |
|---|---|
| Band gap | 0.54 eV |
| Band degeneracy(CBM) | 3.00 |
| Band degeneracy(VBM) | 3.00 |
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 | -1.96909 |
| Eband_CBM | -1.55962 |
| Property | Value |
|---|---|
| Source | mp-864755-Ac1Li1Te2 |