The optimal one dimensional periodic table: A modified Pettifor chemical scale from data mining

Henning Glawe, Antonio Sanna, E. K.U. Gross, Miguel A.L. Marques

Research output: Contribution to journalArticlepeer-review

50 Scopus citations

Abstract

Starting from the experimental data contained in the inorganic crystal structure database, we use a statistical analysis to determine the likelihood that a chemical element A can be replaced by another B in a given structure. This information can be used to construct a matrix where each entry is a measure of this likelihood. By ordering the rows and columns of this matrix in order to reduce its bandwidth, we construct a one-dimension ordering of the chemical elements, analogous to the famous Pettifor scale. The new scale shows large similarities with the one of Pettifor, but also striking differences, especially in what comes to the ordering of the non-metals.

Original languageAmerican English
Article number093011
JournalNew Journal of Physics
Volume18
Issue number9
DOIs
StatePublished - Sep 2016
Externally publishedYes

Bibliographical note

Publisher Copyright:
© 2016 IOP Publishing Ltd and Deutsche Physikalische Gesellschaft.

Keywords

  • Pettifor Scale
  • atomic substitution
  • chemical similarity
  • crystal structures

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