F2Sn2
MatHub2d-587-F2Sn2
| Property |
Value |
| Space group |
(164, 'P-3m1') |
| Crystal system |
hexagonal |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-16.944 |
| Free energy / atom (eV) |
-4.236 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.962 | 4.962 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.948 | 4.948 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-5.286 eV |
| Vacuum level |
1.485 eV |
| VBM |
-5.289 eV |
| CBM |
-5.284 eV |
| Work function |
6.771 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-5.286 eV |
| Vacuum level |
1.485 eV |
| VBM |
-5.289 eV |
| CBM |
-5.284 eV |
| Work function |
6.771 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
21.641 |
8.668 |
0.000 |
| yy |
8.668 |
21.641 |
-0.000 |
| xy |
0.000 |
-0.000 |
6.487 |
| Phonon mode at Γ point (THz) |
| -1.792 |
| -1.792 |
| -0.002 |
| -0.001 |
| -0.001 |
| 1.644 |
| 1.644 |
| 2.945 |
| 5.416 |
| 5.416 |
| 18.550 |
| 18.821 |
| Property |
Value |
| from where |
c2db-1969 |
