Data for: Predicting the thermodynamic stability of perovskite oxides using machine learning models
Published: 31 March 2020| Version 1 | DOI: 10.17632/dp45bdgddn.1
Contributors:
Wei Li,
Ryan Jacobs,
Dane Morgan
Description
Supplemental information for the paper: Predicting the thermodynamic stability of perovskite oxides using machine learning models. This contains the dataset of the stability data of over 1900 perovskite oxides and the source code for predicting the stability of new compositions.
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Categories
Density Functional Theory (DFT), Machine Learning, Thermal Stability, Perovskites