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The multi-principal high-entropy alloys (HEAs) are promising new alloys. However, it is a challenge to screen out the suitable composition from the diverse combinations. Referring to the prototype AuCu3 with AB3-L12 structure, where it becomes a face-centered cubic (fcc) structure if element A and B are the same element, the site occupying tendencies of the elements and thermodynamic functions are...
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