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.

Gespeichert in:
Bibliographische Detailangaben
1. Verfasser: Emery, Antoine
Format: Dataset
Sprache:eng
Schlagworte:
FOS: Chemical sciences
Theory and Design of Materials
Online-Zugang:Volltext bestellen
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Beschreibung
Zusammenfassung:For a full description of the dataset, please look at the scientific data project.
DOI:10.6084/m9.figshare.4833587