Table 1.

Phase classification of PtPd-based HEAs by ${\mathrm{\Delta }E}_f$ (in kJ mol^–1 f.u.^–1) with a (in Å) validated with literature data.

HEAs	${\mathrm{\Delta }E}_f$ (FCC)	a (FCC)	${\mathrm{\Delta }E}_f$ (BCC)	a (BCC)	Lowest ${\mathrm{\Delta }E}_f$	Predicted phase	References
PtPdFeCoNi	−2.6973	3.6713	−2.4330	2.9140	−2.6973	FCC	FCC26,36 a = 3.7336
PtPdFeCoIr	−2.6859	3.7440	−2.376	2.9715	−2.6859	FCC	FCC37
PtPdFeRhIr	0.2036	3.8130	0.4338	3.0264	0.2036	FCC	FCC38 a = 3.83438
PtPdCoNiCu	−2.6009	3.6831	−2.3553	2.9233	−2.6009	FCC	FCC39
PtPdCuAgAu	0.0882	3.9351	0.1317	3.1233	0.0882	FCC	FCC7,8,33 a = 3.9367
PtPdRuRhIr	−5.2674	3.8669	−4.9991	3.0692	−5.2674	FCC	FCC34,35,42,43 a = 3.856035 a = 3.8236 a = 3.84 – 3.9642
PtPdRuAgIr	−5.0594	3.9276	−4.9444	3.1173	−5.0594	FCC	FCC34,41
PtPdRuRhAu	−5.2834	3.9165	−5.1907	3.1085	−5.2834	FCC	FCC40