Fig. 4 | Scientific Data

Fig. 4

From: Dataset of theoretical multinary perovskite oxides

Fig. 4

(a) The perovskite structure generated by SPuDS in the a−b+a− Glazer tilt for the theoretical perovskite BaCeSnSeO6. (b) The non-perovskite, DFT-optimized structure of BaCeSnSeO6, which no longer has an interconnected network of SeO6 and SnO6 octahedra following DFT optimization.

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