“…The XYZ structure is a MgAgAs type (space group F-43m), where X, Y, and Z atoms consist of three interpenetrating FCC sub-lattices by occupying the Wyckoff positions of 4b(1/2, 1/2, 1/2), every other 4c(1/4, 1/4, 1/4) position is empty. Based on calculations, half-Heusler compounds have a valence electron count (VEC) of 18 per stable unit cell, and show a band-gap in the range of 0~1.1 eV, which is suitable for mid-temperature applications of TE devices [ 13 , 14 , 15 , 16 , 17 , 18 , 19 , 20 ].…”