Nd1Se2Tl1
MatHub3d-67135-Nd1Se2Tl1
| Property | Value |
|---|---|
| Space group | (166, "'R-3m'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 1.23 |
| Total energy (eV) | -19.465 |
| Total energy / atom (eV) | -4.866 |
| a, b, c (Å): | 4.270 | 4.270 | 22.980 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| a, b, c (Å): | 8.130 | 8.130 | 8.130 |
| α, β, γ(°): | 31.0 | 31.0 | 31.0 |
| n_type (eV): | 3.756 |
| p_type (eV): | 1.103 |
Nd1Se2Tl1
| Property | Value |
|---|---|
| Bulk-modulus | 45.078 GPa |
Nd1Se2Tl1
| Property | Value |
|---|---|
| Band gap | 1.23 eV |
| Band degeneracy(CBM) | 3.00 |
| 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 | -0.22069 |
| Eband_CBM | -4.39055 |
| Property | Value |
|---|---|
| Source | icsd-106988-Nd1Se2Tl1 |