Prediction of new A3+B3+C2+O4 compounds |
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| Authors: | N. N. Kiseleva A. V. Stolyarenko V. V. Ryazanov O. V. Sen’ko A. A. Dokukin |
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| Affiliation: | 1.Baikov Institute of Metallurgy and Materials Science,Russian Academy of Sciences,Moscow,Russia;2.Federal Research Center “Informatics and Management,”,Russian Academy of Sciences,Moscow,Russia |
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| Abstract: | Hitherto unprepared ABCO4 compounds (where A and B stand for tervalent metals (r A ≥ r B) and C stands for a divalent metal) are predicted. Criteria are found to predict the possibility for these compounds to crystallize in some type of structure (K2NiF4, CaFe2O4, YbFe2O4, or spinel) at room temperature and atmospheric pressure. The prediction is based only on the properties of elements and simple oxides. A special software system for computer-aided analysis of information is used for calculations involving pattern recognition based on use case. |
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