Density Functional Theory Driven Analysis of the Interplay among Structure, Composition, and Oxidation State of Titanium in Hibonite, Spinel, and Perovskite

Hibonite (CaAl12O19), spinel (MgAl2O4), and perovskite (CaTiO3) represent oxides that occur in primitive meteorites and are among some of the first phases to have condensed from the early solar neb...