High-throughput screening of the Ce valence and the correlation towards high coercivity in Ce-based permanent magnets

Permanent magnets are at the heart of green energy production and conversion. The global market for magnets is dominated by RE-based materials. As the availability of RE's are limited, strong efforts exist to replace heavy RE's with more abundant ones, particularly Ce, with its unique properties due to its mixed valency. We propose to perform a high-throughput screening of the Ce valence in Ce-based magnets to investigate the connection between the Ce valence and the magnetic properties. The obtained data provides an essential input for the growing field of searching for new functional magnetic materials using machine learning approaches. Better functional magnetic materials directly impact resource-efficient energy conversion, which is more in demand than ever in view of the energy crisis and the threat of global warming. Besides their usage in permanent magnets, Ce compounds have contributed to other fields, e.g. catalysis.