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• W2072416272 abstract "First-principles calculations were performed to study the structure and stability of the Al46 cluster. The results suggest two competing structural motifs, the spherical endohedral cage and layer-stacking structures. It is shown that although medium-sized Al clusters tend to form layered structures (i.e., fcc fragments with a stacking fault), a spherical endohedral cage configuration is also an important structural motif for the magic Al46 cluster. Besides, the cluster ions were also studied, and the calculated PES of the Al46- isomer with the minimum of free energy is in better agreement with the experimental PES data." @default.
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• W2072416272 date "2012-10-01" @default.
• W2072416272 modified "2023-10-16" @default.
• W2072416272 title "Endohedral cage and layered structures of Al46" @default.
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• W2072416272 doi "https://doi.org/10.1016/j.cplett.2012.08.029" @default.
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