Prediction of the unit cell edge length of cubic A22+BB′O6 perovskites by multiple linear regression and artificial neural networks

• Authors: Sandra Dimitrovska , Slobotka Aleksovska , Igor Kuzmanovski
• Languages of publication: EN

Abstracts

EN

The unit cell edge length, a, of a set of complex cubic perovskites having the general formula A22+BB′O6 is predicted using two methodologies: multiple linear regression and artificial neural neworks. The unit cell edge length is expressed as a function of six independent variables: the effective ionic radii of the constituents (A, B and B′), the electronegativities of B and B′, and the oxidation state of B. In this analysis, 147 perovskites of the A22+BB′O6 type, having the cubic structure and belonging to the Fm3m space group, are included. They are divided in two sets; 98 compounds are used in the calibration set and 49 are used in the test set. Both models give consistent results and could be successfully use to predict the lattice cell parameter of new members of this series.

Keywords

EN

complex perovskites; lattice parameters; artificial neural networks; multiple lnear regression

• Publisher: De Gruyter Open
• Journal: Open Chemistry
• Year: 2005
• Volume: 3
• Issue: 1
• Pages: 198-215

Dates

published

1 - 3 - 2005

online

1 - 3 - 2005

Contributors

author

Sandra Dimitrovska

• Institute of Chemistry, Faculty of Natural Sciences and Mathematics, University “Sv. Kiril i Metodij”, PO Box 162, 1001, Skopje, Republic of Macedonia

author

Slobotka Aleksovska

• Institute of Chemistry, Faculty of Natural Sciences and Mathematics, University “Sv. Kiril i Metodij”, PO Box 162, 1001, Skopje, Republic of Macedonia

author

Igor Kuzmanovski

• Institute of Chemistry, Faculty of Natural Sciences and Mathematics, University “Sv. Kiril i Metodij”, PO Box 162, 1001, Skopje, Republic of Macedonia

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Identifiers

DOI

10.2478/BF02476250