Se2V2
MatHub2d-1897-Se2V2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-21.915 |
| Free energy / atom (eV) |
-5.479 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.632 | 3.632 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.859 | 3.859 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.768 eV |
| Vacuum level |
1.894 eV |
| VBM |
-2.768 eV |
| CBM |
-2.767 eV |
| Work function |
4.662 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.768 eV |
| Vacuum level |
1.894 eV |
| VBM |
-2.768 eV |
| CBM |
-2.767 eV |
| Work function |
4.662 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
8.985 |
38.798 |
0.000 |
| yy |
38.798 |
8.985 |
-0.000 |
| xy |
0.000 |
-0.000 |
25.291 |
| Phonon mode at Γ point (THz) |
| -0.001 |
| 0.001 |
| 0.001 |
| 3.179 |
| 3.179 |
| 4.370 |
| 5.618 |
| 6.877 |
| 6.877 |
| 8.141 |
| 8.141 |
| 8.473 |
| Property |
Value |
| from where |
c2db-826 |
