New tolerance factor to predict the stability of perovskite oxides and halides
Christopher J. Bartel, Christopher Sutton, Bryan R. Goldsmith, Runhai Ouyang, Charles B. Musgrave, Luca M. Ghiringhelli, Matthias Scheffler
Abstract
) ranked by their probability of being stable as perovskite. This work guides experimentalists and theorists toward which perovskites are most likely to be successfully synthesized and demonstrates an approach to descriptor identification that can be extended to arbitrary applications beyond perovskite stability predictions.
Topics & Concepts
HalideSimple (philosophy)Perovskite (structure)Stability (learning theory)Computer scienceBiological systemMaterials scienceFactor (programming language)Chemical physicsChemistryInorganic chemistryCrystallographyMachine learningProgramming languageBiologyPhilosophyEpistemologyPerovskite Materials and ApplicationsMachine Learning in Materials ScienceMagnetic and transport properties of perovskites and related materials