Predicting Ground-State Configurations and Electronic Properties of the Thermoelectric Clathrates Ba 8 Al x Si 46– x and Sr 8 Al x Si

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Authors: Maria Troppenz, Santiago Rigamonti, Claudia Draxl

Journal title: Chemistry of Materials

Journal number: 29/6

Journal publisher: American Chemical Society

Published year: 2017

Published pages: 2414-2424

DOI identifier: 10.1021/acs.chemmater.6b05027

ISSN: 0897-4756