Fig. 5

Structural and calculated electronic properties of Magnéli phases. a Schematic illustration of the crystalline structure of Ti₄O₇. See text and Supplementary Fig. 8. b Calculated band structure and (orbital) projected density of states (PDOS) of Ti₄O₇. c Calculated band gaps of the Magnéli phases Ti _x O_2x−1 as the function of x