fig3

Data-driven exploration and first-principles analysis of perovskite material

Figure 3. Band structures of new GdScO3 crystal structures, including (A) the monoclinic structure 1; (B) the hexagonal structure 2; and (C) the orthorhombic structure 3. The Fermi level corresponding to the highest occupied state is set at 0 eV. GdScO3: Gadolinium scandate.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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