We present results of an investigation of small TimCn clusters with different stoichiometries in order to throw light on the occurrence of carbon dimers in these structures. Previous studies of transition metal (M) metallocarbohedrene (metcar) clusters MmCn have proposed that C2 dimers play a special role. In the special case of TimCn metcars these dimers have been observed in several studies. We shall show that clusters containing C2 dimers are energetically favored with respect to those containing only single carbon atoms or trimers, especially when the dimers occupy the corner positions of cubic clusters. Moreover, we find that cubic structures are more stable than corresponding double-cage metcars. Finally, a highly symmetric Ti6C10 metcar cluster is presented and proposed to be the global-minimum structure of this stoichiometry.

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