fig2

Figure 2. Bonding properties of Co₇S₁₂. (A) Differential charge density distributions of Co₇S₁₂, where the isosurface value is set as 0.012 e/Bohr³. Yellow and green colors represent charge accumulation and depletion, respectively. (B) ELF maps of Co₇S₁₂. The values of ELF > 0.5, ELF = 0.5, and ELF < 0.5 represent the covalent bond, metallic bond, and ionic bond, respectively. Co atoms and S atoms are denoted in purple and orange, respectively.