C16Cl8Ge2H48N4
MatHub2d-1295-C16Cl8Ge2H48N4
| Property | Value |
|---|---|
| Space group | (4, 'P2_1') |
| Crystal system | rectangular |
| Magnetic | No |
| Band gap (PBE) (eV) | 3.15 |
| Free energy (eV) | -394.412 |
| Free energy / atom (eV) | -5.057 |
| a, b, c (Å): | 7.561 | 7.597 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| a, b, c (Å): | 7.873 | 7.920 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
C16Cl8Ge2H48N4
C16Cl8Ge2H48N4
| Property | Value |
|---|---|
| Band gap | 3.15 eV |
| E-fermi | -2.635 eV |
| Vacuum level | 1.967 eV |
| VBM | -2.931 eV |
| CBM | 0.224 eV |
| Work function | 4.602 eV |
| Cij (N/m) | xx | yy | xy |
| xx | -9.501 | 5.757 | 0.000 |
| yy | 5.757 | 9.715 | -0.000 |
| xy | 0.000 | -0.000 | 5.207 |
| Phonon mode at Γ point (THz) |
|---|
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | c2db-1525 |