S1Sn1
MatHub2d-1875-S1Sn1
| Property |
Value |
| Space group |
(123, 'P4/mmm') |
| Crystal system |
square |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-8.058 |
| Free energy / atom (eV) |
-4.029 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.943 | 3.943 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.908 | 3.908 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.695 eV |
| Vacuum level |
1.067 eV |
| VBM |
-2.696 eV |
| CBM |
-2.688 eV |
| Work function |
3.762 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.695 eV |
| Vacuum level |
1.067 eV |
| VBM |
-2.696 eV |
| CBM |
-2.688 eV |
| Work function |
3.762 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
36.816 |
29.868 |
0.000 |
| yy |
29.868 |
36.816 |
0.000 |
| xy |
0.000 |
0.000 |
23.568 |
| Phonon mode at Γ point (THz) |
| -5.280 |
| -2.966 |
| -2.966 |
| 0.007 |
| 0.029 |
| 0.029 |
| Property |
Value |
| from where |
c2db-1512 |
