In light of the burgeoning electric vehicle market, the demand for lithium-ion batteries (LiBs) is on the rise. However, the supply of materials essential for LiBs is struggling to keep pace, posing a significant challenge in meeting the surging market demand. This study offers a viable solution to bolster the dependability of the material supply chain by prioritizing material suppliers who are deeply committed to sustainable practices and performance. We have developed a comprehensive system for evaluating sustainable performance, encompassing three vital dimensions: economic, social and environmental contexts. Then, we introduced a pioneering approach known as the multi-criteria material supplier selection (MCMSS) methodology which amalgamates multi-criteria decision-making techniques with artificial intelligence to effectively generate sustainability performance of suppliers and identify the most suitable supplier, out of all alternatives. Eventually, the supply of four key materials of LiBs is used as illustrative examples to verify the feasibility and rationality of the proposed MCMSS. This work carries significant implications for overseeing the LiB material industry. The MCMSS model offers a solution for the government to establish a comprehensive material supplier database to intelligently supervise the activities of material suppliers and foster collaboration between upstream and downstream enterprises within the LiB industry.