Discovering Rare-earth-free Magnetic Materials

An open-access database is designed to facilitate machine learning.

J. Chelikowsky , K. Ho, C. Wang, D. Sellmyer, X. Xu


An open-access database is designed to facilitate machine learning (ML) assisted discovery of new magnets. A feedback loop between computational and experimental efforts leads to the discovery of several new rare-earth-free magnets.
In addition to structures from Material Project (MP), database includes many low-energy structures from adaptive genetic algorithm (AGA) search (see (a)).
Structures from AGA exhibit favorable magnetic properties (see (b & (c)).
Promising compositions identified from database provides useful guidance to experimental discovery of novel magnetic materials (see (c ) and (d)).



Designing Materials to Revolutionize and Engineer our Future (DMREF)