Abstract
Electronic structure and stability have been determined from first-principles calculations for Mg–Ce intermetallic compounds with different types structure. These calculations show that the structure types of Mg 3Ce, Mg 2Ce, MgCe, MgCe 2, MgCe 3 intermetallic compounds with the strongest alloying ability and the highest structural stability are DO c, C15, Ba, C15 and DO 3, respectively, which is also well explained through the densities of states (DOS) of these compounds.
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