Co1Ga2S4
MatHub2d-526-Co1Ga2S4
| Property |
Value |
| Space group |
(156, 'P3m1') |
| Crystal system |
hexagonal |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-30.059 |
| Free energy / atom (eV) |
-4.294 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.634 | 3.634 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.669 | 3.669 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.839 eV |
| Vacuum level |
1.693 eV |
| VBM |
-0.839 eV |
| CBM |
-0.838 eV |
| Work function |
2.532 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.839 eV |
| Vacuum level |
1.693 eV |
| VBM |
-0.839 eV |
| CBM |
-0.838 eV |
| Work function |
2.532 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
61.412 |
-4.976 |
-0.000 |
| yy |
-4.976 |
61.412 |
-0.000 |
| xy |
-0.000 |
-0.000 |
33.194 |
| Phonon mode at Γ point (THz) |
| -0.027 |
| -0.027 |
| -0.012 |
| 0.671 |
| 0.783 |
| 0.783 |
| 1.654 |
| 1.654 |
| 4.562 |
| 4.589 |
| 4.589 |
| 6.405 |
| 7.034 |
| 7.034 |
| 7.467 |
| 7.467 |
| 8.468 |
| 8.622 |
| 8.622 |
| 8.805 |
| 12.009 |
| Property |
Value |
| from where |
sz.tsinghua-20 |
