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The phase behavior of Mg3P2 was investigated at increasing pressure from ambient to 100 GPa using first-principles calculations. It transformed first from anti-C (Ia-3) to anti-A (P-3m1) at 2.5 GPa, and then to antipost-perovskite (P63/mmc) at 35 GPa. Remarkably, we found a new low-enthalpy structure with space group C2/c to be favored above 65 GPa. The electronic calculations predict Mg3P2 to be...
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