TY - JOUR

T1 - The optimal one dimensional periodic table

T2 - A modified Pettifor chemical scale from data mining

AU - Glawe, Henning

AU - Sanna, Antonio

AU - Gross, E. K.U.

AU - Marques, Miguel A.L.

N1 - Publisher Copyright:
© 2016 IOP Publishing Ltd and Deutsche Physikalische Gesellschaft.

PY - 2016/9

Y1 - 2016/9

N2 - 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.

AB - 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.

KW - Pettifor Scale

KW - atomic substitution

KW - chemical similarity

KW - crystal structures

UR - http://www.scopus.com/inward/record.url?scp=84989849236&partnerID=8YFLogxK

U2 - 10.1088/1367-2630/18/9/093011

DO - 10.1088/1367-2630/18/9/093011

M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???

AN - SCOPUS:84989849236

SN - 1367-2630

VL - 18

JO - New Journal of Physics

JF - New Journal of Physics

IS - 9

M1 - 093011

ER -