In order to determine the effect of the structural transition and increasing pressure on the electronic structure, a full composition-pressure phase diagram for both cubic and rhombohedral geometries is presented in Fig. (individual cubic and rhombohedral results are shown in Fig. ). The transition from semiconducting NbO2F to a metallic phase on doping with fluorine is maintained at all pressures, as is the metallic to half-metallic transition with x. NbF3 is predicted to be semiconducting for the most stable rhombohedral phase (in contrast to previous cubic predictions).