Er1Se2Tl1
MatHub3d-41034-Er1Se2Tl1
| Property | Value |
|---|---|
| Space group | (166, "'R-3m'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 1.23 |
| Total energy (eV) | -19.242 |
| Total energy / atom (eV) | -4.811 |
| a, b, c (Å): | 4.110 | 4.110 | 23.140 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| a, b, c (Å): | 8.110 | 8.110 | 8.110 |
| α, β, γ(°): | 30.0 | 30.0 | 30.0 |
| n_type (eV): | 2.565 |
| p_type (eV): | 0.388 |
Er1Se2Tl1
| Property | Value |
|---|---|
| Bulk-modulus | 48.745 GPa |
Er1Se2Tl1
| Property | Value |
|---|---|
| Band gap | 1.23 eV |
| Band degeneracy(CBM) | 6.00 |
| 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 | -0.24498 |
| Eband_CBM | -5.22746 |
| Property | Value |
|---|---|
| Source | icsd-106993-Er1Se2Tl1 |