Half-metallicity in the ferrimagnet [MnII(enH)(H2O)][CrIII(CN)6]·H2O: Ab initio study

► The electronic, magnetic and conducting properties are investigated. ► [MnII(enH) (H2O)][CrIII(CN)6]·H2O is a typical half-metallic ferrimagntes. ► The spin delocalization mechanism takes part in the magnetic coupling.