Re2S2
MatHub2d-1864-Re2S2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-26.799 |
| Free energy / atom (eV) |
-6.700 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.795 | 3.795 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.809 | 3.809 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.471 eV |
| Vacuum level |
2.058 eV |
| VBM |
-2.472 eV |
| CBM |
-2.470 eV |
| Work function |
4.529 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.471 eV |
| Vacuum level |
2.058 eV |
| VBM |
-2.472 eV |
| CBM |
-2.470 eV |
| Work function |
4.529 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
110.713 |
90.750 |
0.000 |
| yy |
90.750 |
110.713 |
0.000 |
| xy |
0.000 |
0.000 |
8.829 |
| Phonon mode at Γ point (THz) |
| -0.002 |
| 0.000 |
| 0.000 |
| 4.409 |
| 4.409 |
| 5.673 |
| 7.493 |
| 7.493 |
| 8.551 |
| 8.551 |
| 11.205 |
| 11.474 |
| Property |
Value |
| from where |
c2db-798 |
