Breaking the Aristotype: Featurization of Polyhedral Distortions in Perovskite Crystals
Published in Chemistry of Materials, 2019
Recommended citation: K. Morita et al, "Breaking the Aristotype: Featurization of Polyhedral Distortions in Perovskite Crystals" Chem. Mater., 34 (2022).
We demonstrate a compact machine learning representation based on group theory for tilted and distorted octahedral crystal structures.