Data-Driven Exploration of Critical Factors for Single-Phase High-Entropy Oxide Anode Materials.

ABSTRACT: High-entropy oxides (HEOs) are attracting significant attention owing to their compositional tunability and structural robustness. However, the identification of specific compositional combinations that yield a single-phase structure in HEOs remains unclear owing to the immense combinatorial complexity inherent in multielement systems. This study adopts a materials informatics approach that integrates experimental synthesis data with machine learning to identify key compositional factors enabling single-phase HEO formation via solid-state synthesis. This approach extracts compositional rules and constraints favoring the formation of homogeneous rock-salt or spinel phases. Applying these insights allowed the compositional space to be efficiently explored, leading to the successful synthesis

SUBMITTER: Kanno M 

PROVIDER: S-EPMC12451741 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature