Se6W2
MatHub2d-1709-Se6W2
| Property |
Value |
| Space group |
(11, 'P2_1/m') |
| Crystal system |
rectangular |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-43.436 |
| Free energy / atom (eV) |
-5.430 |
Lattice Parameters (basic)
| a, b, c (Å): | 7.499 | 3.252 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 7.495 | 3.268 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.845 eV |
| Vacuum level |
1.852 eV |
| VBM |
-2.845 eV |
| CBM |
-2.844 eV |
| Work function |
4.696 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.845 eV |
| Vacuum level |
1.852 eV |
| VBM |
-2.845 eV |
| CBM |
-2.844 eV |
| Work function |
4.696 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
-11.149 |
2.668 |
0.000 |
| yy |
2.668 |
108.453 |
-0.000 |
| xy |
0.000 |
-0.000 |
0.577 |
| Phonon mode at Γ point (THz) |
| Property |
Value |
| from where |
c2db-1811 |
