Structure and ion transport of lithium-rich Li1+xAlxTi2−x(PO4)3 with 0.3

© 2020 Elsevier B.V. New solid state electrolytes are becoming increasingly sought after in the drive to replace flammable liquid electrolytes. To this end, several Li conducting solids have been identified as promising candidates including Li stuffed garnets and more recently Li-rich materials such as Li1+xAlxTi2−x(PO4)3 with 0.3Ti4+ compared to Li+–>Al3+. Furthermore, our calculated ionic conductivities are in excellent agreement with experimental values, highlighting the robustness of our computational models