In the first step of this screen, three structural optimizations were performed on the bulk structure of each spinel oxide within this constructed dataset before the energy of each structure was determined. A gamma-centered k-point mesh with a density of 8000 k-points/number of unit cell atoms was generated for each material using Pymatgen . Both the shape of the unit cell and the positions of the atoms were allowed to fluctuate until the energy convergence criterion of 10 -5 eV between each self-consistent field iteration step and the force convergence criterion of 0.01 eV Å - 1 were met. Once the relaxation steps had been concluded, the shape of the unit cell and the positions of the atoms were fixed in order to evaluate the energy of each structure. The Brillouin zone was integrated using the tetrahedron method with Blöchl corrections for this energy calculation .