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 AuCu 3 with AB 3-L1 2 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 predicted by using the sublattice model supported with first-principles total energy calculations.By considering the Gibbs energy of formation and the configurational entropy,the fcc HEAs in available literatures are examined,and the results of the quinary system with equal-atomic composition CoFeMnNiM and the hexbasic system with equal-atomic composition CoFeMnNiSmM are reported,respectively,where the element M is selected from the rest of the periodical table.When M=Cr,Zn,Ru,Rh,Pd,Re,Os,Ir,or Pt in the quinary systems CoFeMnNiM and when M=Ru,Pd,or Pt in the hexbasic systems CoFeMnNiSmM,respectively,the alloys are recommended to be potential fcc HEAs.The new approach opens a new way to mine the rich ores of HEAs.
