| InNNi3 |
| InNCo3 |
|
LDA | GGA | LDA | GGA | |
| 3.74 | 3.882 | 3.744 | 3.753 |
B | 226.92 | 279.93 | 255.78 | 243.06 |
C11 | 356.77 | 274.08 | 389.11 | 317.54 |
C12 | 164.23 | 131.20 | 171.12 | 126.76 |
C44 | 69.06 | 60.01 | 102.55 | 94.98 |
G | 79.24 | 64.35 | 105.08 | 95.14 |
| 0.344 | 0.339 | 0.311 | 0.286 |
B/G | 2.895 | 2.779 | 2.320 | 2.001 |
Ref | [18] |