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We report the global search for the lowest energy structures of the transition metal (TM) doped B clusters, TM4B18 0/- (TM = Hf, Ta, W, Re, Os) and their electronic properties. A combination of the comprehensive genetic algorithm (CGA) method with density functional theory (DFT) calculations shows that they are composed of four planar TM@B9 wheel units by sharing B atoms, except for Os4B18 0/-, which consists of two types of planar molecular wheels of Os@B7 and Os@B8. Among these nanoclusters, it is found that the Ta4B18 cluster has a
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