Cl8Nb2
MatHub3d-30002-Cl8Nb2
| Property | Value |
|---|---|
| Space group | (12, "'C2/m'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 1.40 |
| Total energy (eV) | -44.799 |
| Total energy / atom (eV) | -4.480 |
| a, b, c (Å): | 11.820 | 6.820 | 8.140 |
| α, β, γ(°): | 90.0 | 132.0 | 90.0 |
| a, b, c (Å): | 7.510 | 7.510 | 8.880 |
| α, β, γ(°): | 125.0 | 125.0 | 55.0 |
| n_type (eV): | 2.105 |
| p_type (eV): | 2.792 |
Cl8Nb2
| Property | Value |
|---|---|
| Bulk-modulus | 51.889 GPa |
Cl8Nb2
| Property | Value |
|---|---|
| Band gap | 1.40 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 | -0.3835 |
| Eband_CBM | -9.23546 |
| Property | Value |
|---|---|
| Source | icsd-1010-Cl8Nb2 |