Ab initio simulations on metal-silicate partitioning of phosphorus during Earth’s core formation

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 10-135 GPa and 3000-5000 K. Table S2-S3 show the detailed data of two-phase coexistence simulations. Table S4 shows the detailed data. Table S5 shows the raw data of thermodynamic integration calculations. Table S6 shows the compilation of dataset from previous experiments.

表S1收录了局域三阶有限应变表达式的拟合参数，该表达式对应10~135 吉帕斯卡（GPa）、3000~5000 开尔文（K）条件下金属与硅酸盐体系的比尔奇-默纳汉状态方程（Birch-Murnaghan equation-of-state）。表S2至表S3展示了两相共存模拟的详细数据。表S4展示了详细数据。表S5呈现了热力学积分（thermodynamic integration）计算的原始数据。表S6汇总了既往实验获取的数据集。