Boron-based nanomaterials have become the focus of cluster scientific research because of their unique molecular structure and chemical bonds. Here, we systematically studied the regulation of M2 (M=Li, Na, K) on the structure of B180/^? clusters at the PBE0/6-311+G(d) level by using the CALYPSO structure prediction program combined with density functional theory. Structure prediction found that all doped systems exhibit tubular structures. Moreover, except for the Li2B18 with C1 point symmetry, the global minimum structures of the other clusters favor D9d point symmetry tubular shape, where the two M atoms are localized on the axis of the tubular structure. Subsequently, based on the global minimum structures, the stability studies indicated that K2B18 and Li2B18?cluster have relatively strong stability in neutral and anionic series, respectively. Charge transfer analyses revealed the charge transfer occurs from the M atoms to the base boron fragment. Magnetic properties analyses indicated that the total magnetic moment is zero for the closed-shell structures of Li2B18, Na2B18 and K2B18 clusters; however, the open-shell structures of Li2B18?, Na2B18? and K2B18? clusters have the magnetic moments with the values of 1μB. Upon dipole moment and polarizability analysis, the dipole moment and the magnitude of first hyperpolarizability are zero for the highly symmetrical structure, respectively. Moreover, K2B180/? clusters with highest mean dipole polarizability show a stronger anisotropic response to the exteranl field. Additionally, the simulated photoelectron spectra, IR spectra and Raman spectra were also presented, which could provide a theoretical basis for further experiments. At last, the relationships between Cv (S) and T were discussed.