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Functional Ceramic Materials Database: An Online Resource for Materials Research

D. J. Scott,^† S. Manos,^† P. V. Coveney,*^† J. C. H. Rossiny,^‡ S. Fearn,^‡ J. A. Kilner,^‡ R. C. Pullar,^‡ N. Mc N. Alford,^‡ A.-K. Axelsson,^‡ Y. Zhang,^§ L. Chen,^§ S. Yang,^§ J. R. G. Evans,^§ and M. T. Sebastian

Centre for Computational Science, Department of Chemistry, University College London, Christopher Ingold Laboratories, 20 Gordon Street, London WC1H 0AJ, U.K., Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, U.K., Department of Materials, Queen Mary, University of London, Mile End Road, London E1 4NS, U.K., and Regional Research Laboratory, Trivandrum 695 019, India

J. Chem. Inf. Model., 2008, 48 (2), pp 449–455

DOI: 10.1021/ci700270v

Publication Date (Web): January 31, 2008

†

University College London.

Corresponding author phone:+44 20 7679 4560; fax: +44 20 7679 7463; e-mail: p.v.coveney@ucl.ac.uk.

‡

Imperial College London.

University of London.

Regional Research Laboratory.

Abstract

We present work on the creation of a ceramic materials database which contains data gleaned from literature data sets as well as new data obtained from combinatorial experiments on the London University Search Instrument. At the time of this writing, the database contains data related to two main groups of materials, mainly in the perovskite family. Permittivity measurements of electroceramic materials are the first area of interest, while ion diffusion measurements of oxygen ion conductors are the second. The nature of the database design does not restrict the type of measurements which can be stored; as the available data increase, the database may become a generic, publicly available ceramic materials resource.

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