Geoscience material structures prediction via CALYPSO methodology
Hermann Andreas †
Crystal structures of iron oxide FeO2 and derived compounds. (a) FeO2-Pa3¯ at 76 GPa;[17] (b) FeO2H-Pa3¯ at 100 GPa;[21] (c) FeO2He at 100 GPa.[22] Fe (O,H,He) atoms are gold (red, pink, white) spheres, respectively.