Table 1 Atomic occupations of the \(\alpha\), \(\beta\), and \(\gamma\) phases of equiatomic quaternary Heusler alloys used in the DFT calculations.

From: DFT-based exploration of XMnCrZ (X = Ni, Ti; Z = Sn, Sb) quaternary heusler alloys for structural and multifunctional properties

Phase

X

X\('\)

Y

Z

\(\alpha\)

(0.75, 0.75, 0.75)

(0.25, 0.25, 0.25)

(0.5, 0.5, 0.5)

(0.0, 0.0, 0.0)

\(\beta\)

(0.5, 0.5, 0.5)

(0.75, 0.75, 0.75)

(0.25, 0.25, 0.25)

(0.0, 0.0, 0.0)

\(\gamma\)

(0.75, 0.75, 0.75)

(0.5, 0.5, 0.5)

(0.25, 0.25, 0.25)

(0.0, 0.0, 0.0)

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