How Chemical Composition Alone Can Predict Vibrational Free Energies and Entropies of Solids

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Authors: Fleur Legrain, Jesús Carrete, Ambroise van Roekeghem, Stefano Curtarolo, Natalio Mingo

Journal title: Chemistry of Materials

Journal number: 29/15

Journal publisher: American Chemical Society

Published year: 2017

Published pages: 6220-6227

DOI identifier: 10.1021/acs.chemmater.7b00789

ISSN: 0897-4756