## Finding the Lowest-Energy Crystal Structure Starting From Randomly Selected Lattice Vectors and Atomic Positions: First Principles Evolutionary Study of the Au-Pd, Cd-Pt, Al-Sc, Cu-Pd, Pd-Ti, and Ir-N Binary Systems

Two types of global space-group optimization (GSGO) problems can be recognized in binary metallic alloys A{sub q}B{sub 1-q}: (1) configuration search problems, where the underlying crystal lattice is known and the aim is finding the most favorable decoration of the lattice by A and B atoms and (2) lattice-type search problems, where neither the lattice type nor the decorations are given and the aim is finding energetically favorable lattice vectors and atomic occupations. Here, we address the second, lattice-type search problem in binary A{sub q}B{sub 1-q} metallic alloys, where the constituent solids A and B have different lattice types. Wemore »