Table 2. Elastic Constants in Voigt Notation in GPa for MIL-47(V) with Various Step Sizes δ in Å and Displacements Na.
| N | δ | ![]() |
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λ1 | λ6 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 2 | 0.005 | 45.11 | 85.16 | 34.58 | 46.26 | 7.24 | 10.80 | 24.14 | 16.00 | 49.11 | 4.59 | 125.52 |
| 0.015 | 40.93 | 83.45 | 29.41 | 43.84 | 9.43 | 11.04 | 19.95 | 12.00 | 48.19 | 1.18 | 118.65 | |
| 0.020 | 39.90 | 80.61 | 27.33 | 43.45 | 7.05 | 7.22 | 19.00 | 10.49 | 47.04 | –0.09 | 114.36 | |
| 4 | 0.005 | 41.80 | 83.49 | 32.90 | 46.48 | 0.98 | 10.76 | 22.47 | 14.44 | 47.58 | 0.98 | 121.07 |
| 0.015 | 38.13 | 82.86 | 29.70 | 43.72 | 9.89 | 11.42 | 18.74 | 11.43 | 48.10 | 1.32 | 117.32 | |
| 0.020 | 37.54 | 79.43 | 26.30 | 43.91 | 6.80 | 4.39 | 17.72 | 9.07 | 46.03 | –0.31 | 111.36 |
The smallest and largest eigenvalues are denoted λ1 and λ6, respectively, with negative eigenvalues denoted in bold.








