High-Throughput DFT Calculations of Formation Energy, Stability and Oxygen Vacancy Formation Energy of ABO3 Perovskites

High-Throughput DFT Calculations of Formation Energy, Stability and Oxygen Vacancy Formation Energy of ABO3 Perovskites

For a full description of the dataset, please look at the scientific data project.

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1. Verfasser: Emery, Antoine
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FOS: Chemical sciences
Theory and Design of Materials
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creator Emery, Antoine
description For a full description of the dataset, please look at the scientific data project.
doi_str_mv 10.6084/m9.figshare.4833587
format Dataset
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identifier DOI: 10.6084/m9.figshare.4833587
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subjects FOS: Chemical sciences
Theory and Design of Materials
title High-Throughput DFT Calculations of Formation Energy, Stability and Oxygen Vacancy Formation Energy of ABO3 Perovskites
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