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
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AN - SCOPUS:84989849236
SN - 1367-2630
VL - 18
JO - New Journal of Physics
JF - New Journal of Physics
IS - 9
M1 - 093011
ER -