(a) The crystal structure of Cd3As2, which has a distorted superstructure of the antifluorite structure type with a tetragonal unit cell in the cetrosymmetric I41/acd space group. (b) A small sub-cell of the overall structure of Cd3As2, in which the cubic Cd lattice with two vacancies resides in a face-centered cubic As lattice. The overall structure of Cd3As2 can be viewed as a 2 × 2 × 4 superstructure stacked from it. (c) The calculated electronic structure of Cd3As2. A band crossing merges along Γ–Z at the Fermi level, representative of Dirac point. (d) Bulk Brillouin zone of Cd3As2. Two 3D Dirac points (red dots) locate on the opposite sides of the Brillouin zone center point Γ along kz direction. |