Table 1 Structural parameters of LiSbX3 (X = Cl or F).
Structural specification | a₀ | V₀ (a.u3) | Ba (GPa) | B₀’ | E₀ (Ry) | References |
|---|---|---|---|---|---|---|
LiSbCl3 | 5.5345 | 1132.3279 | 27.2893 | 5.0000 | − 15,751.580077 | Present work |
LiSbF3 | 4.6784 | 691.6176 | 45.6816 | 4.9083 | − 13,581.781774 | |
LiMgCl3 | 4.95 | 821.0834 | 32.79 | 4.2723 | − 3185.298454 | |
LiBeCl3 | 4.56 | 644.0256 | 44.60 | 4.20 | − 2814.001590 | |
CaKCl3 | 5.3795 | 720.76 | 79.43 | 5.76 | − 4145.53 | |
CaLiCl3 | 4.6380 | 719.32 | 72.66 | 7.21 | − 4145.49 |
