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- W2022995144 abstract "Pseudopotential and local density functional theory calculations on the electronic structure and geometry have been carried out for the (Al12B)Li solid where an Al12B cluster and a Li atom served as the building blocks of the material. Our results show that (Al12B)Li in the CsCl structure will eventually be an aluminum-like metal when the lattice parameter of the solid and the atomic geometry of the clusters are optimized by the crystal field. The packed clusters of Al12B tend to have a cuboctahedral geometry." @default.
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- W2022995144 title "Electronic properties of solid (Al12B)Li in the CsCl structure" @default.
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