Figure 2.

Calculated band structure and density of states of Mn₃(C₆S₆). Representative band structure of bulk Mn₃(C₆S₆) with a canted antiferromagnetic spin configuration (left) and corresponding density of states (right). Various canted antiferromagnetic spin configurations give nearly identical band structures (see SI Figure 11). The plots are results from density functional theory calculations, using an optimized structure (see Computational Methods and SI Figure 10).