A novel class of multivalent ionic conductors with the La3CuSiS7 structure type: results of stepwise ICSD screening

Author:

Kabanov Artem A.12ORCID,Morkhova Yelizaveta A.13ORCID,Osipov Vladislav T.1,Rothenberger Manuel4,Leisegang Tilmann4ORCID,Blatov Vladislav A.1ORCID

Affiliation:

1. Samara Center for Theoretical Materials Science (SCTMS), Samara State Technical University, Molodogvardeyskaya St. 244, 443100 Samara, Russia

2. P. N. Lebedev Physical Institute of the Russian Academy of Sciences, Novo-Sadovaya Str. 18, 443011 Samara, Russia

3. Samara State Medical University, Chapayevskaya St. 89, Samara, Russia

4. Institute of Experimental Physics, Energy Materials, TU Bergakademie Freiberg, 09599, Freiberg, Germany

Abstract

High-throughput screening of the ICSD database revealed 16 new promising Zn2+ and Al3+ ionic conductors, most of which belong to a new class of ionic conductors with the La3CuSiS7 structure with ionic conductivity up to ∼10−2 S cm−1 at 300 K.

Funder

Russian Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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