Table 2.
Elastic constants (C11, C12, and C44 in GPa), Bulk modulus (B in GPa) Voigt’s Shear (GV in GPa), Reuss’s Shear (GR in GPa) modulus, Shear modulus (G in GPa), Young’s modulus (Y in GPa), Micro hardness (H) and Cauchy’s pressure (CP) in GPa, Anisotropy ratio (A), Pugh’s ratio (B0/G) and Poisson’s ratio (ν).
| Parameter | K2NaMnI6 | K2NaCoI6 | K2NaNiI6 |
|---|---|---|---|
| C11 | 52.22 | 42.98 | 39.90 |
| C12 | 21.31 | 19.34 | 18.62 |
| C44 | 20.43 | 18.62 | 17.96 |
| B = BV = BR | 31.62 | 27.22 | 25.71 |
| GV | 18.09 | 15.14 | 14.08 |
| GR | 18.44 | 15.9 | 15.02 |
| G | 18.26 | 15.51 | 14.56 |
| Y | 45.96 | 39.12 | 36.74 |
| H = 0.92 (B/G)1.3137 G0.708 | 21.80 | 19.96 | 19.32 |
| Cp | 0.88 | 0.72 | 0.66 |
| A = 4C44/(C11–C12) | 1.32 | 1.57 | 1.69 |
| Bo/G | 1.72 | 1.74 | 1.74 |
| ѵ | 0.25 | 0.25 | 0.25 |