C1F2W2
MatHub2d-282-C1F2W2
| Property |
Value |
| Space group |
(164, 'P-3m1') |
| Crystal system |
hexagonal |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-36.888 |
| Free energy / atom (eV) |
-7.378 |
Lattice Parameters (basic)
| a, b, c (Å): | 2.846 | 2.846 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 2.853 | 2.853 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.372 eV |
| Vacuum level |
3.932 eV |
| VBM |
-2.372 eV |
| CBM |
-2.370 eV |
| Work function |
6.305 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.372 eV |
| Vacuum level |
3.932 eV |
| VBM |
-2.372 eV |
| CBM |
-2.370 eV |
| Work function |
6.305 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
237.273 |
76.374 |
0.000 |
| yy |
76.374 |
237.273 |
0.000 |
| xy |
0.000 |
0.000 |
80.450 |
| Phonon mode at Γ point (THz) |
| -2.458 |
| -2.458 |
| -0.009 |
| 0.014 |
| 0.014 |
| 2.407 |
| 2.407 |
| 3.327 |
| 3.327 |
| 4.415 |
| 13.193 |
| 13.294 |
| 15.294 |
| 15.294 |
| 20.986 |
| Property |
Value |
| from where |
c2db-1398 |
