  In this work, the most stable structures of Pt5V clusters are investigated
using the successive growth algorithm (SCG) in conjunction with density
functional theory (DFT) calculations. The resulting structures are evaluated by
various functionals, including GGA (PBE), meta-GGA (TPSS) and hybrid (B3PW91,
PBE0, PBEh-3c, M06-L), in conjunction with the Def2TZVP basis set. The results
based on these functionals show that two different structures compete for the
global minimum. The structural and electronic properties of the two most stable
structures are discussed.
