Screening Perovskites from ABO<sub>3</sub> Combinations Generated by Constraint Satisfaction Techniques Using Machine Learning
Jie Zhao, Xiaoyan Wang
Abstract
combinations into 1373 perovskites and 856 nonperovskites, whereas the stability prediction model distinguishes 430 stable perovskites from 1799 unstable ones. Three hundred thirty-eight combinations are recognized as both formable and stable perovskites for future investigation.
Topics & Concepts
FormabilityPerovskite (structure)Stability (learning theory)Materials scienceDensity functional theoryConstraint (computer-aided design)Computer scienceArtificial intelligenceMachine learningChemistryComputational chemistryCrystallographyEngineeringComposite materialMechanical engineeringMachine Learning in Materials ScienceX-ray Diffraction in CrystallographyInorganic Chemistry and Materials