Maximizing the Localized Relaxation: The Origin of the Outstanding Oxygen Storage Capacity of κ‐Ce2Zr2O8

Pretty vacant: The excellent oxygen storage capacity (OSC) of κ-Ce2Zr2O8 (see picture; Ce gray, Zr green, O red) is shown to be a result of its unique structural features; after removing oxygen atoms, the structural relaxation is local (vacancy shown in brown), and both the localized structural relaxation and the number of localized structural relaxations are maximized.