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Physical review B
Calcium and magnesium carbonates are believed to be the host compounds for most of the oxidized carbon in the Earth's mantle. Here, using evolutionary crystal structure prediction method USPEX, we systematically explore the MgO-CO2 and CaO-CO2 systems at pressures ranging from 0 to 160 GPa to search for thermodynamically stable magnesium and calcium carbonates. While MgCO3 is the only stable magnesium carbonate, three calcium carbonates are stable under pressure: well-known CaCO3, and newlydoi:10.1103/physrevb.98.014108 fatcat:6l4fccgpgfbf7lmkqanfvypmny