Co1Ga2Te4
MatHub2d-532-Co1Ga2Te4
| Property |
Value |
| Space group |
(164, 'P-3m1') |
| Crystal system |
hexagonal |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-23.997 |
| Free energy / atom (eV) |
-3.428 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.073 | 4.073 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.127 | 4.127 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.025 eV |
| Vacuum level |
4.203 eV |
| VBM |
-0.026 eV |
| CBM |
-0.025 eV |
| Work function |
4.228 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.025 eV |
| Vacuum level |
4.203 eV |
| VBM |
-0.026 eV |
| CBM |
-0.025 eV |
| Work function |
4.228 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
92.168 |
30.123 |
0.000 |
| yy |
30.123 |
92.168 |
-0.000 |
| xy |
0.000 |
-0.000 |
31.022 |
| Phonon mode at Γ point (THz) |
| -0.009 |
| -0.009 |
| -0.002 |
| 0.457 |
| 0.457 |
| 0.771 |
| 0.771 |
| 1.750 |
| 2.677 |
| 2.677 |
| 2.766 |
| 4.167 |
| 4.306 |
| 5.088 |
| 5.088 |
| 5.091 |
| 5.091 |
| 5.273 |
| 5.273 |
| 7.192 |
| 7.272 |
| Property |
Value |
| from where |
sz.tsinghua-27 |
