Prediction of new halo-elpasolites
- Авторы: 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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Учреждения:
- Baikov Institute of Metallurgy and Materials Science
- Dorodnitsyn Computing Center
- Выпуск: Том 61, № 5 (2016)
- Страницы: 604-609
- Раздел: 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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Аннотация
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.
Об авторах
N. Kiselyova
Baikov Institute of Metallurgy and Materials Science
Автор, ответственный за переписку.
Email: kisi@met.ac.ru
Россия, Leninskii pr. 49, Moscow
A. Stolyarenko
Baikov Institute of Metallurgy and Materials Science
Email: kisi@met.ac.ru
Россия, Leninskii pr. 49, Moscow
V. Ryazanov
Dorodnitsyn Computing Center
Email: kisi@met.ac.ru
Россия, Moscow
O. Sen’ko
Dorodnitsyn Computing Center
Email: kisi@met.ac.ru
Россия, Moscow
A. Dokukin
Dorodnitsyn Computing Center
Email: kisi@met.ac.ru
Россия, Moscow
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