Figure6

Figure 6. Performance of SCCOP on 35 representative compounds. (A) Time cost and lowest energy for each compound, with all energy calculations evaluated with DFT; (B) Three lowest-energy structures identified by SCCOP. Each compound has been explored five times by SCCOP, with up to ten atoms in the unit cell. Reproduced from Ref.^[150]. CC BY 4.0. SCCOP: Symmetry-based combinatorial crystal optimization program; DFT: density functional theory.