Email this article Prediction of new halo-elpasolites
- Authors: Kiselyova N.N.1, Stolyarenko A.V.1, Ryazanov V.V.2, Sen’ko O.V.2, Dokukin A.A.2
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Affiliations:
- Baikov Institute of Metallurgy and Materials Science
- Dorodnitsyn Computing Center
- Issue: Vol 61, No 5 (2016)
- Pages: 604-609
- Section: Theoretical Inorganic Chemistry
- URL: https://journals.rcsi.science/0036-0236/article/view/166432
- DOI: https://doi.org/10.1134/S0036023616050090
- ID: 166432
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Abstract
We predicted elpasolites having the composition A2BCHal6 (A and C stand for different monovalent metals; B stands for trivalent metals; and Hal for F, Cl, or Br) that have not been obtained yet. Prediction was based on the data on properties of elements and simple halides only. The computations were carried out using specialized software for computer-assisted data analysis relying on the precedent-based pattern recognition method.
About the authors
N. N. Kiselyova
Baikov Institute of Metallurgy and Materials Science
Author for correspondence.
Email: kisi@met.ac.ru
Russian Federation, Leninskii pr. 49, Moscow
A. V. Stolyarenko
Baikov Institute of Metallurgy and Materials Science
Email: kisi@met.ac.ru
Russian Federation, Leninskii pr. 49, Moscow
V. V. Ryazanov
Dorodnitsyn Computing Center
Email: kisi@met.ac.ru
Russian Federation, Moscow
O. V. Sen’ko
Dorodnitsyn Computing Center
Email: kisi@met.ac.ru
Russian Federation, Moscow
A. A. Dokukin
Dorodnitsyn Computing Center
Email: kisi@met.ac.ru
Russian Federation, Moscow
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