I4W2
MatHub2d-1597-I4W2
| Property |
Value |
| Space group |
(11, 'P2_1/m') |
| Crystal system |
rectangular |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-24.855 |
| Free energy / atom (eV) |
-4.142 |
Lattice Parameters (basic)
| a, b, c (Å): | 7.904 | 3.527 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 7.927 | 3.535 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.921 eV |
| Vacuum level |
2.012 eV |
| VBM |
-1.922 eV |
| CBM |
-1.921 eV |
| Work function |
3.933 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.921 eV |
| Vacuum level |
2.012 eV |
| VBM |
-1.922 eV |
| CBM |
-1.921 eV |
| Work function |
3.933 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
2.532 |
0.973 |
-0.000 |
| yy |
0.973 |
55.298 |
0.000 |
| xy |
-0.000 |
0.000 |
-14.579 |
| Phonon mode at Γ point (THz) |
| Property |
Value |
| from where |
c2db-1950 |
