Se2W2
MatHub2d-1898-Se2W2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-27.836 |
| Free energy / atom (eV) |
-6.959 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.813 | 3.813 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.806 | 3.806 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.048 eV |
| Vacuum level |
1.785 eV |
| VBM |
-2.049 eV |
| CBM |
-2.047 eV |
| Work function |
3.833 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.048 eV |
| Vacuum level |
1.785 eV |
| VBM |
-2.049 eV |
| CBM |
-2.047 eV |
| Work function |
3.833 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
77.861 |
123.427 |
0.000 |
| yy |
123.427 |
77.861 |
0.000 |
| xy |
0.000 |
0.000 |
52.973 |
| Phonon mode at Γ point (THz) |
| -0.001 |
| -0.000 |
| -0.000 |
| 2.987 |
| 2.987 |
| 5.325 |
| 5.325 |
| 5.414 |
| 5.414 |
| 5.555 |
| 6.934 |
| 8.218 |
| Property |
Value |
| from where |
c2db-832 |
