The Structure and Composition Statistics of 6A Binary and Ternary Crystalline Materials.

Journal Article (Journal Article)

The fundamental principles underlying the arrangement of elements into solid compounds with an enormous variety of crystal structures are still largely unknown. This study presents a general overview of the structure types appearing in an important subset of the solid compounds, i.e., binary and ternary compounds of the 6A column oxides, sulfides and selenides. It contains an analysis of these compounds, including the prevalence of various structure types, their symmetry properties, compositions, stoichiometries and unit cell sizes. It is found that these compound families include preferred stoichiometries and structure types that may reflect both their specific chemistry and research bias in the available empirical data. Identification of nonoverlapping gaps and missing stoichiometries in these structure populations may be used as guidance in the search for new materials.

Full Text

Duke Authors

Cited Authors

  • Hever, A; Oses, C; Curtarolo, S; Levy, O; Natan, A

Published Date

  • January 2018

Published In

Volume / Issue

  • 57 / 2

Start / End Page

  • 653 - 667

PubMed ID

  • 29272112

Electronic International Standard Serial Number (EISSN)

  • 1520-510X

International Standard Serial Number (ISSN)

  • 0020-1669

Digital Object Identifier (DOI)

  • 10.1021/acs.inorgchem.7b02462


  • eng