S2Sm2
MatHub2d-1878-S2Sm2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-24.714 |
| Free energy / atom (eV) |
-6.178 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.913 | 3.913 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.916 | 3.916 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.283 eV |
| Vacuum level |
1.660 eV |
| VBM |
-1.287 eV |
| CBM |
-1.279 eV |
| Work function |
2.943 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.283 eV |
| Vacuum level |
1.660 eV |
| VBM |
-1.287 eV |
| CBM |
-1.279 eV |
| Work function |
2.943 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
107.920 |
53.077 |
0.000 |
| yy |
53.077 |
107.920 |
0.000 |
| xy |
0.000 |
0.000 |
67.678 |
| Phonon mode at Γ point (THz) |
| -0.001 |
| -0.001 |
| 0.001 |
| 2.252 |
| 2.252 |
| 3.755 |
| 6.431 |
| 7.283 |
| 7.471 |
| 7.471 |
| 7.980 |
| 7.980 |
| Property |
Value |
| from where |
JVASP-19516 |
