Cover Image, Volume 119, Issue 9

In article e25871, Hongshan Chen and colleagues investigate the low‐energy structures of Al 6 Na m C ( m = 2, 4, 6, 8) clusters and their electronic structures by using genetic algorithm combined with density functional theory and configuration interaction methods. The carbon atom doping in Al‐Na clusters depresses the potential in the inner cluster, stabilising the 2S/2P orbitals considerably, with respect to the pure metal clusters. The 26 valence electrons of Al 6 Na 4 C form closed electronic shells with configuration 1S 2 1P 6 2S 2 2P 6 1D 10 , resulting in a new magic structure with enhanced stability and large energy gap. The Al 6 C unit forms a 4‐ anion making Al 6 Na 4 C a potential building block for cluster assembled materials. DOI: 10.1002/qua.25871