In this work, we report a crystalline structure that has lower energy that the tetrataenite phase and has a saturation magnetization (M s) of 1.2 M A/m and a magnetic anisotropy energy (MAE) above ...

“We managed to provide a general algorithm for crystal structure prediction that can be applied to a diversity of structures,” noted Paul Spirakis, PhD, professor in computer science in Liverpool.

The algorithm achieved world-leading performance in crystal structure prediction benchmarks.