Metal-compatibility heatmap extracted from high-throughput DFT calculations. The average E hull values among all the considered structural configurations (gamma-LiFeO 2 -like ordering, spinel-like ordering, layered-like ordering and the electrostatic ground state of the cation arrangement) for the selected binary metal chemical spaces were averaged over all computed compositions with the Li-excess level x = 0, 1/6, 1/3 and the Li over-stoichiometry level y = 1/12, 1/6. The metal cation species are arranged according to their ionic radii in the axes. Locations without a pixel indicate that the corresponding M1M2 pair cannot satisfy the considered x and y due to valence constraints. Darker blue indicates lower E hull values and greater stability, and brighter green indicates poorer stability.
