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Hitherto unprepared ABCO4 compounds (where A and B stand for tervalent metals (rA ≥ rB) and C stands for a divalent metal) are predicted. Criteria are found to predict the… Click to show full abstract
Hitherto unprepared ABCO4 compounds (where A and B stand for tervalent metals (rA ≥ rB) 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.
Journal Title: Russian Journal of Inorganic Chemistry
Year Published: 2017
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