Prediction of new A 3+ B 3+ C 2+ O 4 compounds

Hitherto unprepared ABCO 4 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 (K 2 NiF 4 , CaFe 2 O 4 , YbFe 2 O 4 , 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.