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(a) The relative enthalpy per formula unit as a function of pressure for competing structures. The enthalpies are referenced to that of F-43m phase. The insert is the enlarged view of relative enthalpy of P63mc phase as a function of pressure. (b) The relative enthalpy per f.u. as a function of pressure with the region from 105 GPa to 280 GPa around the phase transition pressure. The insert is the pressure dependence of volume for F-43m, C2/m and P42/mnm phases of BP.
