“…In the chemical ordering calculations in the larger NP 586 and NP 1289 models the last verifying step by exceedingly demanding DFT calculations was omitted, fully relying on the E TOP energies. Applications of this method [ 20 , 21 ] to various bimetallic NPs revealed that E TOP expressions despite their simplicity are sufficient for very efficient determining reliable atomic distributions in the energetically most stable homotops, in good agreement with DFT data [ 14 , 15 , 39 , 40 , 41 , 42 , 43 , 44 ].…”