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A novel class of multivalent ionic conductors with the La<sub>3</sub>CuSiS<sub>7</sub> structure type: results of stepwise ICSD screening

Artem A. Kabanov, Yelizaveta A. Morkhova, Vladislav T. Osipov, Manuel Rothenberger, Tilmann Leisegang, Vladislav A. Blatov

2023Physical Chemistry Chemical Physics14 citationsDOI

Abstract

High-throughput screening of the ICSD database revealed 16 new promising Zn 2+ and Al 3+ ionic conductors, most of which belong to a new class of ionic conductors with the La 3 CuSiS 7 structure with ionic conductivity up to ∼10 −2 S cm −1 at 300 K.

Topics & Concepts

Ionic bondingElectrical conductorIonic conductivityClass (philosophy)Type (biology)Structure typeMaterials scienceChemistryCrystallographyComputer scienceIonPhysical chemistryCrystal structureGeologyArtificial intelligenceElectrodeOrganic chemistryComposite materialElectrolytePaleontologyIron-based superconductors researchCrystal Structures and PropertiesRare-earth and actinide compounds