S2W2
MatHub2d-1882-S2W2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-29.401 |
| Free energy / atom (eV) |
-7.350 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.761 | 3.761 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.756 | 3.756 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.543 eV |
| Vacuum level |
1.853 eV |
| VBM |
-2.543 eV |
| CBM |
-2.541 eV |
| Work function |
4.396 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.543 eV |
| Vacuum level |
1.853 eV |
| VBM |
-2.543 eV |
| CBM |
-2.541 eV |
| Work function |
4.396 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
82.842 |
139.785 |
0.000 |
| yy |
139.785 |
82.842 |
-0.000 |
| xy |
0.000 |
-0.000 |
68.407 |
| Phonon mode at Γ point (THz) |
| -0.001 |
| -0.001 |
| -0.000 |
| 4.693 |
| 4.693 |
| 5.667 |
| 6.795 |
| 6.795 |
| 7.615 |
| 7.615 |
| 11.174 |
| 11.864 |
| Property |
Value |
| from where |
c2db-831 |
