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1 Liu, Feng(BAl12)Cs: a cluster-assembled solidFirst-principles calculations on the geometry and stability of AlnBm clusters have been carried out to examine the effect of size, composition, and electronic-shell filling on their relative stability. It is shown that although Al and B are both trivalent, a BAl12 cluster is more stable than an Al1...First-principles calculations; (BAl12)Cs; Cluster-assembled; AlnBm clusters1997-06
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