Prediction of new halo-elpasolites

N. N. Kiselyova; A. V. Stolyarenko; V. V. Ryazanov; O. V. Sen’ko; A. A. Dokukin

doi:10.1134/S0036023616050090

Prediction of new halo-elpasolites

作者: Kiselyova N.N.¹, Stolyarenko A.V.¹, Ryazanov V.V.², Sen’ko O.V.², Dokukin A.A.²
隶属关系:
1. Baikov Institute of Metallurgy and Materials Science
2. Dorodnitsyn Computing Center
期: 卷 61, 编号 5 (2016)
页面: 604-609
栏目: Theoretical Inorganic Chemistry
URL: https://bakhtiniada.ru/0036-0236/article/view/166432
DOI: https://doi.org/10.1134/S0036023616050090
ID: 166432

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详细

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.