Table 3 The shortest distances between La–Mg, La–Ni, Mg–Ni, or/and La–H, Mg–H, Ni–H (in unit of Å) obtained from Charge density plots (Fig. 4) for LaMg2Ni, LaMg2NiH4.5 and LaMg2NiH7.
From: First-principles investigation of LaMg2Ni and its hydrides
Systems | La–Mg | La–Ni | Mg–Ni | La–H | Mg–H | Ni–H |
|---|---|---|---|---|---|---|
LaMg2Ni | 3.325 | 2.901 | 2.733 | … | … | … |
LaMg2NiH4.5 | 3.700 | 4.407 | 2.670 | 2.377 | 2.008 | 1.560 |
LaMg2NiH7 | 3.677 | 3.241 | 2.682 | 2.641 | 1.954 | 1.565 |
