S2V2
MatHub2d-1881-S2V2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-23.883 |
| Free energy / atom (eV) |
-5.971 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.637 | 3.637 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.843 | 3.843 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.887 eV |
| Vacuum level |
2.011 eV |
| VBM |
-2.891 eV |
| CBM |
-2.882 eV |
| Work function |
4.898 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.887 eV |
| Vacuum level |
2.011 eV |
| VBM |
-2.891 eV |
| CBM |
-2.882 eV |
| Work function |
4.898 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
4.817 |
43.933 |
-0.000 |
| yy |
43.933 |
4.817 |
0.000 |
| xy |
-0.000 |
0.000 |
31.783 |
| Phonon mode at Γ point (THz) |
| -0.012 |
| 0.001 |
| 0.001 |
| 4.309 |
| 4.309 |
| 4.690 |
| 8.597 |
| 9.347 |
| 9.347 |
| 9.450 |
| 9.450 |
| 10.751 |
| Property |
Value |
| from where |
c2db-824 |
