New tolerance factor to predict the stability of perovskite oxides and halides

Bartel, Christopher J.; Sutton, Christopher; Goldsmith, Bryan R.; Ouyang, Runhai; Musgrave, Charles B.; Ghiringhelli, Luca M.; Scheffler, Matthias

doi:10.1126/sciadv.aav0693

articleScience AdvancesFeb 1, 2019GOLD OA

New tolerance factor to predict the stability of perovskite oxides and halides

CJChristopher J. Bartel CSChristopher Sutton BRBryan R. Goldsmith RORunhai Ouyang CBCharles B. Musgrave

University of Colorado Boulder · Fritz Haber Institute of the Max Planck Society · +2 more institutions

PubMed

Indexed inarxivcrossrefdoajpubmed

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.

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Topics & keywords

Topics

Keywords

Halide
Simple (philosophy)
Perovskite (structure)
Stability (learning theory)
Computer science
Biological system
Materials science
Factor (programming language)

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