Br4C16Ge2H48I4N4
MatHub2d-1280-Br4C16Ge2H48I4N4
| Property | Value |
|---|---|
| Space group | (4, 'P2_1') |
| Crystal system | rectangular |
| Magnetic | No |
| Band gap (PBE) (eV) | 2.43 |
| Free energy (eV) | -387.482 |
| Free energy / atom (eV) | -4.968 |
| a, b, c (Å): | 7.970 | 8.079 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| a, b, c (Å): | 8.367 | 8.558 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Br4C16Ge2H48I4N4
Br4C16Ge2H48I4N4
| Property | Value |
|---|---|
| Band gap | 2.43 eV |
| E-fermi | -2.526 eV |
| Vacuum level | 2.111 eV |
| VBM | -2.841 eV |
| CBM | -0.408 eV |
| Work function | 4.637 eV |
| Cij (N/m) | xx | yy | xy |
| xx | 7.039 | 14.970 | 0.000 |
| yy | 14.970 | 32.260 | 0.000 |
| xy | 0.000 | 0.000 | 1.747 |
| Phonon mode at Γ point (THz) |
|---|
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | c2db-1520 |