O2W2
MatHub2d-1843-O2W2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.02 |
| Free energy (eV) |
-31.194 |
| Free energy / atom (eV) |
-7.798 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.580 | 3.580 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.572 | 3.572 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.02 eV |
| E-fermi |
-3.913 eV |
| Vacuum level |
1.241 eV |
| VBM |
-3.921 eV |
| CBM |
-3.905 eV |
| Work function |
5.154 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.02 eV |
| E-fermi |
-3.913 eV |
| Vacuum level |
1.241 eV |
| VBM |
-3.921 eV |
| CBM |
-3.905 eV |
| Work function |
5.154 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
76.284 |
219.586 |
-0.000 |
| yy |
219.586 |
76.284 |
-0.000 |
| xy |
-0.000 |
-0.000 |
125.361 |
| Phonon mode at Γ point (THz) |
| -5.230 |
| -5.230 |
| -0.003 |
| 0.004 |
| 0.004 |
| 3.171 |
| 4.148 |
| 4.148 |
| 7.863 |
| 7.863 |
| 16.960 |
| 17.071 |
| Property |
Value |
| from where |
c2db-830 |
