A dataset of 175k stable and metastable materials calculated with the PBEsol and SCAN functionals.

Schmidt, Jonathan; Wang, Hai-Chen; Cerqueira, Tiago F T; Botti, Silvana; Marques, Miguel A L

Schmidt, Jonathan; Wang, Hai-Chen; Cerqueira, Tiago F T; Botti, Silvana; Marques, Miguel A L.

Afiliação

Schmidt J; Institut für Physik, Martin-Luther-Universität Halle-Wittenberg, 06120, Halle (Saale), Germany.
Wang HC; Institut für Physik, Martin-Luther-Universität Halle-Wittenberg, 06120, Halle (Saale), Germany.
Cerqueira TFT; CFisUC, Department of Physics, University of Coimbra, Rua Larga, 3004-516, Coimbra, Portugal.
Botti S; Institut für Festkörpertheorie und -optik and European Theoretical Spectroscopy Facility, Friedrich-Schiller-Universität Jena, D-07743, Jena, Germany.
Marques MAL; Institut für Physik, Martin-Luther-Universität Halle-Wittenberg, 06120, Halle (Saale), Germany. miguel.marques@physik.uni-halle.de.

Sci Data ; 9(1): 64, 2022 Mar 02.

Article em En | MEDLINE | ID: mdl-35236866

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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2022 Tipo de documento: Article

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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2022 Tipo de documento: Article