Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability

TitleAccuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability
Publication TypeJournal Article
Year of Publication2012
AuthorsHautier, G, Ong, SPing, Jain, A, Moore, CJ, Ceder, G
JournalPhysical Review B
Volume85
Issue15
Date Published2012/04/30/
ISBN Number1098-0121