Theoretical study of the XP3 (XÂ =Â Al, B, Ga) clusters

► A unified view of structural and energetic properties of AlP3, BP3 and GaP3 clusters is presented. ► Calculations made using DFT and CCSD(T) with extrapolation to the complete basis set. ► The characteristics of BP3 are apparently first described and its ground state has C2v symmetry.