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

Hever, A., Oses, C., Curtarolo, S., Levy, O., & Natan, A. (2018). The Structure and Composition Statistics of 6A Binary and Ternary Crystalline Materials. Inorganic Chemistry, 57(2), 653-667. doi:10.1021/acs.inorgchem.7b02462.

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 Urheber:
Hever, Alon1, Autor
Oses, Corey2, 3, Autor
Curtarolo, Stefano2, 3, 4, Autor           
Levy, Ohad2, 3, 5, Autor
Natan, Amir1, 3, 6, Autor
Affiliations:
1Department of Physical Electronics, Tel-Aviv University, Tel-Aviv 69978, Israel, ou_persistent22              
2Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, United States, ou_persistent22              
3Center for Materials Genomics, Duke University, Durham, North Carolina 27708, United States, ou_persistent22              
4Theory, Fritz Haber Institute, Max Planck Society, ou_634547              
5Department of Physics, NRCN, P.O. Box 9001, Beer-Sheva 84190, Israel, ou_persistent22              
6The Sackler Center for Computational Molecular and Materials Science, Tel-Aviv University, Tel-Aviv 69978, Israel, ou_persistent22              

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 Zusammenfassung: 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.

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Sprache(n): eng - English
 Datum: 2017-09-282017-12-222018-01-16
 Publikationsstatus: Erschienen
 Seiten: 15
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: DOI: 10.1021/acs.inorgchem.7b02462
 Art des Abschluß: -

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Titel: Inorganic Chemistry
  Kurztitel : Inorg. Chem.
Genre der Quelle: Zeitschrift
 Urheber:
Affiliations:
Ort, Verlag, Ausgabe: Washington, DC : American Chemical Society
Seiten: 15 Band / Heft: 57 (2) Artikelnummer: - Start- / Endseite: 653 - 667 Identifikator: ISSN: 0020-1669
CoNE: https://pure.mpg.de/cone/journals/resource/0020-1669