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Figure 8
Energy gap between the highest-occupied and lowest-unoccupied Kohn–Sham bands in the C2/c, P21/n and P21/a phases as a function of applied hydro­static pressure, pext, from 0 to 4.2 GPa.

IUCrJ
Volume 3| Part 5| September 2016| Pages 367-376
ISSN: 2052-2525