Chlorine's affinity for iron during Earth's core formation from ab initio simulation

Table S1 contains the fitted parameters of a local third-order finite strain expression, corresponding a Birch-Murnaghan equation-of-state for the metallic and silicate system at 10-134 GPa and 3000-5000 K. Table S2-S3 show the detailed data of two-phase coexistence simulations. Table S4 shows the detailed data of gibbs free energy change and partition coefficient Table S5 shows the raw data of thermodynamic integration calculations. Table S6 shows the compilation of dataset from ab initio simulations and previous experiments.