fig5

A data-driven comparative study of thermomechanical properties in rare-earth zirconate and tantalate oxides for thermal barrier coatings

Figure 5. The bonding charge density isosurface of (A) C2221 RETa3O7 and (B) RE2Zr2O7 pyrochlore (RE = Sc, Y, La ~ Lu). The blue and yellow isosurfaces respectively correspond to Δρ ± 0.02 e-Å-3. RE: Rare-earth.

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