In the original implementation of ChemDASH, the comparison between energies of structures is easily conducted as the composition is unchanged throughout the ChemDASH run. The problem with incorporating variable compositions into ChemDASH is that different chemical compositions do not have directly comparable DFT total energies for use in the acceptance criteria. As implemented here, a solid solution is assumed between two end members that make up the new phase and the energy difference is calculated as the difference between the new structure and the two end members as: