Ru2S2
MatHub2d-1870-Ru2S2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
|
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-21.257 |
| Free energy / atom (eV) |
-5.314 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.884 | 3.884 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.878 | 3.878 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.786 eV |
| Vacuum level |
1.966 eV |
| VBM |
-2.801 eV |
| CBM |
-2.785 eV |
| Work function |
4.751 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.786 eV |
| Vacuum level |
1.966 eV |
| VBM |
-2.801 eV |
| CBM |
-2.785 eV |
| Work function |
4.751 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
86.355 |
68.169 |
0.000 |
| yy |
68.169 |
86.355 |
0.000 |
| xy |
0.000 |
0.000 |
73.533 |
| Phonon mode at Γ point (THz) |
| -0.001 |
| -0.001 |
| -0.001 |
| 5.566 |
| 6.898 |
| 6.898 |
| 10.020 |
| 10.020 |
| 10.422 |
| 10.422 |
| 10.668 |
| 11.487 |
| Property |
Value |
| from where |
c2db-807 |
