In1Sb1
MatHub2d-796-In1Sb1
| Property | Value |
|---|---|
| Space group | (156, 'P3m1') |
| Crystal system | hexagonal |
| Magnetic | No |
| Band gap (PBE) (eV) | 0.71 |
| Free energy (eV) | -6.084 |
| Free energy / atom (eV) | -3.042 |
| a, b, c (Å): | 4.663 | 4.663 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| a, b, c (Å): | 4.668 | 4.668 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
In1Sb1
In1Sb1
| Property | Value |
|---|---|
| Band gap | 0.49 eV |
| E-fermi | -3.155 eV |
| VBM | -3.437 eV |
| CBM | -2.945 eV |
| Free energy (eV) | -6.190 |
| Free energy / atom (eV) | -3.095 |
In1Sb1
| Property | Value |
|---|---|
| Band gap | 0.71 eV |
| E-fermi | -3.440 eV |
| Vacuum level | 1.431 eV |
| VBM | -3.713 eV |
| CBM | -3.001 eV |
| Work function | 4.871 eV |
| Cij (N/m) | xx | yy | xy |
| xx | 29.353 | 11.686 | -0.000 |
| yy | 11.686 | 29.353 | 0.000 |
| xy | -0.000 | 0.000 | 8.833 |
| Phonon mode at Γ point (THz) |
|---|
| -0.006 |
| -0.006 |
| -0.002 |
| 3.047 |
| 5.390 |
| 5.390 |
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | c2db-688 |