Al2Se4Tl2
MatHub3d-2920-Al2Se4Tl2
| Property | Value |
|---|---|
| Space group | (140, "'I4/mcm'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 0.60 |
| Total energy (eV) | -31.932 |
| Total energy / atom (eV) | -3.992 |
| a, b, c (Å): | 8.130 | 8.130 | 6.330 |
| α, β, γ(°): | 90.0 | 90.0 | 90.0 |
| a, b, c (Å): | 6.670 | 6.670 | 6.670 |
| α, β, γ(°): | 103.0 | 103.0 | 122.0 |
| n_type (eV): | -3.829 |
| p_type (eV): | -5.491 |
Al2Se4Tl2
| Property | Value |
|---|---|
| Bulk-modulus | 45.572 GPa |
Al2Se4Tl2
| Property | Value |
|---|---|
| Band gap | 0.60 eV |
| Band degeneracy(CBM) | 1.00 |
| 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 | -5.05245 |
| Eband_CBM | -0.31846 |
| Property | Value |
|---|---|
| Source | icsd-100130-Al2Se4Tl2 |