Phase diagrams provide fundamental knowledge about design map of new electrode materials for Li-ion bat-teries. The CALPHAD (CALculation of PHAse Diagrams) approach is widely applied to the development of phase diagrams and property diagrams in a thermodynamic language. Within the CALPHAD framework, the theoretical modeling can be performed to predict phase equilibria, thermodynamics, electrochemical and physical prop-erties of electrodes. This review provides the successful application of high quality calculated phase diagrams and thermodynamic property diagrams in CALPHAD investigation to both cathodes and anodes of Li-ion bat-teries, including Li–Co–O, Li–Ni–O, Li–Co–Ni–O, Li–Mn–O, Li–Cu–O, Li–Si, Li–Sb and Li–Sn systems with. The intensive CALPHAD-type research may also predict electrochemical properties, cell performance of the Li-ion batteries to achieve more efficient development of electrode materials.