Lithium-Rich Antifluorite Li ₅ Fe x Al 1– x O ₄ : Phase-Controllable Syntheses, Local Structural Evolution, and Electrochemical Performance

polyhedra were observed in the α-phase solid solution, and the decrease in electrochemical activity led to a linear attenuation of battery capacity. The structural changes after the phase transition of the β-phase solid solution led to the enhancement of the Li-Fe interaction, resulting in the disappearance of the delithiation performance within the working voltage. This study established a direct connection among local coordination structure, electronic structure, and electrochemical activity in lithium-rich antifluorite with abundant lithium content, providing a key theoretical basis for the rational design of high-performance prelithiation agents.