Fig. 4 | npj Computational Materials

Fig. 4

From: Predicting the structure and stability of titanium oxide electrides

Fig. 4

Structures of stable Ti-rich Ti-oxides at high pressures: a Ti2O in the P-3m1 structure; b Ti2O in the Cmcm structure; c Ti3O in the Cmmm structure; d Ti3O in the Pmam structure; e Ti4O in the Pmmm structure; f Ti5O in the P-1 structure; g Ti5O in the C2/m structure; h Ti6O in the P-31c structure; i Ti6O in the Cmmm structure. The small red and large blue spheres represent O and Ti atoms, respectively. Solid lines depict the unit cells of the structures. The dash line between Ti and O atom denotes the ionic bonding pattern. See the Supplemental Material for more detailed structural information

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