Dataset of theoretical multinary perovskite oxides

Abstract Perovskite oxides (ternary chemical formula ABO3) are a diverse class of materials with applications including heterogeneous catalysis, solid-oxide fuel cells, thermochemical conversion, and oxygen transport membranes. However, their multicomponent (chemical formula $${A}_{x}{A}_{1-x}^{\tex...

Full description

Bibliographic Details
Main Authors: Zachary J. L. Bare, Ryan J. Morelock, Charles B. Musgrave
Format: Article
Language:English
Published: Nature Portfolio 2023-04-01
Series:Scientific Data
Online Access:https://doi.org/10.1038/s41597-023-02127-w