Cl6I2N2V2
MatHub3d-29614-Cl6I2N2V2
| Property | Value |
|---|---|
| Space group | (2, "'P-1'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 1.41 |
| Total energy (eV) | -51.025 |
| Total energy / atom (eV) | -4.252 |
| a, b, c (Å): | 5.930 | 7.610 | 8.170 |
| α, β, γ(°): | 63.0 | 86.0 | 72.0 |
| a, b, c (Å): | 6.080 | 7.670 | 9.000 |
| α, β, γ(°): | 66.0 | 87.0 | 73.0 |
| n_type (eV): | 0.595 |
| p_type (eV): | 1.449 |
Cl6I2N2V2
| Property | Value |
|---|---|
| Bulk-modulus | 47.928 GPa |
Cl6I2N2V2
| Property | Value |
|---|---|
| Band gap | 1.41 eV |
| Band degeneracy(CBM) | 2.00 |
| 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 | 0.57368 |
| Eband_CBM | -8.3648 |
| Property | Value |
|---|---|
| Source | icsd-10470-Cl6I2N2V2 |