Unconventional stable stoichiometry of vanadium peroxide.

Peroxides have attracted considerable attention due to their intriguing electronic properties and diverse applications. However, only a few transition metal peroxides have been known thus far, limiting the variety of peroxide examples. Here, we demonstrate the stabilization of peroxides in the O-rich V-O system through first-principles calculations coupled with a swarm-intelligence structure search. As well as reproducing the known stoichiometries of VO, V