fig8

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

Figure 8. (A) BOs of Al1-Al1, Al1-Al2 and Al2-Al2 in Al8Cu4X vs. atomic number of X; (B) BOs of Al1-Cu, Al2-Cu and Cu-Cu in Al8Cu4X vs. atomic number of X; (C)Al1-X, Al2-X in Al8Cu4X and Al-X in solid solution (Al107X) vs. atomic number of X. The vertical dashed line indicates the separation between periods in the periodic table, with II to VI representing the first through sixth periods. BOs: Bond orders; BO: bond orders.

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