The element distributions of A or B ions in the MP and OQMD datasets are presented in Figure and S4, which cover a broad spectrum of element species. Particularly, the non-metal elements such as C and N take the predominant portions compared to metals due to the existence of antiperovskites in the datasets. In comparison, as shown in Figure , the A or B ions are dominated by 52 types of metals in the CMR dataset, which comprises cubic perovskite structures with the space group of P m 3m.