Fig. 3: Oxide-ion migration pathways considered for Ba7Nb4MoO20 and Sr3V2O8. | npj Computational Materials

Fig. 3: Oxide-ion migration pathways considered for Ba7Nb4MoO20 and Sr3V2O8.

From: Elucidating oxide-ion and proton transport in ionic conductors using machine learning potentials

Fig. 3

a O5–O5, 2.95 Å, b O5–O5, 2.95 Å, c O5–O4, 2.59 Å, d O2–O2, 2.53 Å, e O2–O1, 2.31 Å and f O2–O2, 2.79 Å. Orange arrows indicate the movement of oxide ions. Ba, Sr, Nb, V and O ions are represented by green, blue, light blue, grey and red spheres, respectively. Slices of the structures are shown, with other atoms omitted for clarity.

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