C1Cr2
MatHub2d-269-C1Cr2
| Property |
Value |
| Space group |
(164, 'P-3m1') |
| Crystal system |
hexagonal |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.01 |
| Free energy (eV) |
-18.049 |
| Free energy / atom (eV) |
-6.016 |
Lattice Parameters (basic)
| a, b, c (Å): | 2.834 | 2.834 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 2.827 | 2.827 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.01 eV |
| E-fermi |
-2.527 eV |
| Vacuum level |
2.046 eV |
| VBM |
-2.532 eV |
| CBM |
-2.524 eV |
| Work function |
4.573 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.01 eV |
| E-fermi |
-2.527 eV |
| Vacuum level |
2.046 eV |
| VBM |
-2.532 eV |
| CBM |
-2.524 eV |
| Work function |
4.573 eV |
| Property |
Value |
| from where |
c2db-1360 |
