fig1

Accelerated discovery of potential heat-resistant Al<sub>8</sub>Cu<sub>4</sub>X phases via high-throughput first-principles calculations

Figure 1. Crystal structures of (A) Ω and (B) Al8Cu4X produced by VESTA[58]. Insertion of element X into the Ω framework induces displacements of Al atoms, leading to the formation of decahedron coordinated sites (blue regions). VESTA: Visualization for Electronic and Structural Analysis.

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