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Metal amidoboranes (MABs) are the important candidates for on board hydrogen storage materials with some excellent properties. In this paper, the traditional crystal structures of LiNH2BH3, NaNH2BH3 and KNH2BH3 (LAB, SAB and KAB for short, respectively) have been studied by using first-principle density functional theory. First of all, the periodic structures of LAB and SAB have been predicted by...
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