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The appropriateness of including Hg among the transition metals has beendebated for a long time. Although the synthesis of HgF$_{4}$ molecules in gasphase was reported before, the molecules show strong instabilities anddissociate. Therefore, the transition metal propensity of Hg remains an openquestion. Here, we propose that high pressure provides a controllable methodfor preparing unusual oxidation states of matter. Using an advanced structuresearch method based on first-principles electronic structure calculations, wepredict that under high pressures, Hg can transfer the electrons in its outmost$d$ shell to F atoms, thereby acting as a transition metal. Oxidation of Hg tothe +4 state yielded thermodynamically stable molecular crystals consisting ofHgF$_{4}$ planar molecules, a typical geometry for $d^{8}$ metal centers.

High pressures make Hg a transition metal in a thermodynamically stable solid