A dataset for electrocatalytic hydrogen evolution reaction performance of non-noble transition metal phosphides

• • The dataset comprises 203 non-noble transition metal phosphide catalysts, with performance metrics including overpotential at 10 mA/cm² (η10) and Tafel slope, enabling statistical benchmarking of HER activity. • • SHAP analysis identified phosphorus content, nickel content, and phosphidation temperature as the most critical features influencing HER performance, providing quantitative guidance for catalyst design. • • The dataset integrates preparation details, multi-element compositions, and testing conditions, allowing machine learning models to predict catalytic performance with validated effectiveness. • • The structured and standardized data resource supports rapid screening and rational development of high-performance HER catalysts, addressing the bottleneck of slow reaction kinetics in water electrolysis.