Cl4V2
MatHub2d-1431-Cl4V2
| Property | Value |
|---|---|
| Space group | (11, 'P2_1/m') |
| Crystal system | rectangular |
| Magnetic | Yes |
| Band gap (PBE) (eV) | 0.28 |
| Free energy (eV) | -27.169 |
| Free energy / atom (eV) | -4.528 |
| a, b, c (Å): | 5.693 | 3.240 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| a, b, c (Å): | 5.706 | 3.500 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Cl4V2
Cl4V2
| Property | Value |
|---|---|
| Band gap | 0.28 eV |
| E-fermi | -2.177 eV |
| Vacuum level | 1.885 eV |
| VBM | -2.317 eV |
| CBM | -2.036 eV |
| Work function | 4.062 eV |
| Cij (N/m) | xx | yy | xy |
| xx | 59.594 | 19.919 | -0.000 |
| yy | 19.919 | 36.253 | -0.000 |
| xy | -0.000 | -0.000 | 15.682 |
| Phonon mode at Γ point (THz) |
|---|
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | c2db-1946 |