Ru2S4
MatHub2d-1682-Ru2S4
| Property | Value |
|---|---|
| Space group | (11, 'P2_1/m') |
| Crystal system | rectangular |
| Magnetic | No |
| Band gap (PBE) (eV) | 1.09 |
| Free energy (eV) | -30.568 |
| Free energy / atom (eV) | -5.095 |
| a, b, c (Å): | 5.567 | 3.455 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| a, b, c (Å): | 5.536 | 3.439 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Ru2S4
Ru2S4
| Property | Value |
|---|---|
| Band gap | 1.03 eV |
| E-fermi | -3.512 eV |
| VBM | -3.724 eV |
| CBM | -2.692 eV |
| Free energy (eV) | -30.843 |
| Free energy / atom (eV) | -5.141 |
Ru2S4
| Property | Value |
|---|---|
| Band gap | 1.09 eV |
| E-fermi | -3.353 eV |
| Vacuum level | 2.236 eV |
| VBM | -3.724 eV |
| CBM | -2.637 eV |
| Work function | 5.590 eV |
| Cij (N/m) | xx | yy | xy |
| xx | 108.795 | 32.362 | -0.000 |
| yy | 32.362 | 107.064 | -0.000 |
| xy | -0.000 | -0.000 | 44.836 |
| Phonon mode at Γ point (THz) |
|---|
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | c2db-1923 |