Co1Ga2S4
MatHub2d-527-Co1Ga2S4
| Property |
Value |
| Space group |
(156, 'P3m1') |
| Crystal system |
hexagonal |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-30.060 |
| Free energy / atom (eV) |
-4.294 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.626 | 3.626 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.668 | 3.668 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.919 eV |
| Vacuum level |
2.193 eV |
| VBM |
-0.920 eV |
| CBM |
-0.919 eV |
| Work function |
3.112 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.919 eV |
| Vacuum level |
2.193 eV |
| VBM |
-0.920 eV |
| CBM |
-0.919 eV |
| Work function |
3.112 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
65.464 |
14.560 |
0.000 |
| yy |
14.560 |
65.464 |
0.000 |
| xy |
0.000 |
0.000 |
25.452 |
| Phonon mode at Γ point (THz) |
| -0.055 |
| -0.055 |
| -0.030 |
| 0.701 |
| 0.990 |
| 0.990 |
| 1.692 |
| 1.692 |
| 4.429 |
| 4.429 |
| 4.496 |
| 6.563 |
| 7.077 |
| 7.077 |
| 7.456 |
| 7.456 |
| 8.457 |
| 8.632 |
| 8.632 |
| 8.816 |
| 12.065 |
| Property |
Value |
| from where |
sz.tsinghua-21 |
