Cl4Nb2Se4
MatHub3d-29392-Cl4Nb2Se4
| Property | Value |
|---|---|
| Space group | (2, "'P-1'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 1.13 |
| Total energy (eV) | -47.664 |
| Total energy / atom (eV) | -4.766 |
| a, b, c (Å): | 6.350 | 6.540 | 7.260 |
| α, β, γ(°): | 67.0 | 69.0 | 61.0 |
| a, b, c (Å): | 6.440 | 6.610 | 8.100 |
| α, β, γ(°): | 68.0 | 70.0 | 61.0 |
| n_type (eV): | 1.429 |
| p_type (eV): | 2.814 |
Cl4Nb2Se4
| Property | Value |
|---|---|
| Bulk-modulus | 64.675 GPa |
Cl4Nb2Se4
| Property | Value |
|---|---|
| Band gap | 1.13 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 | -5.49361 |
| Eband_CBM | -8.13789 |
| Property | Value |
|---|---|
| Source | icsd-10483-Cl4Nb2Se4 |