Figure 2 (IMAGE)

Advanced Institute for Materials Research (AIMR), Tohoku University

Figure 2

Caption

Average formation energy (a) and total magnetic moment (b) diagrams of CaxYyMg1-x-yNi3. (c) Theoretical gravimetric hydrogen density diagram of CaxYyMg1-x-yNi3H7 assuming complete hydrogenation. Formation energies are given in eV per formula unit, magnetic moments in per formula unit, and hydrogen densities in weight percent. Black squares indicate compounds reported in previous experimental studies. (d) Formation energy versus total magnetic moment of CaxYyMg1-x-yNi3 with CaNi3 (light-red), YNi3 (light-blue), and MgNi3 (light-green) structures. The average formation energy versus average total magnetic moment (black).

Credit

Hung Ba Tran et al.

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