“…The Mn–Pb–Se–V system was chosen because there is only one known thermodynamically stable ternary compound [(PbSe) 1+d ] 1 [VSe 2 ] 1 and no known quaternary compounds (see Figure ). There are also several known ternary compounds, [(PbSe) 1+d ] m [VSe 2 ] n , , providing the first test of our theoretical search approach. The known binary compounds (PbSe, MnSe, MnSe 2 , VSe, VSe 2 , V 2 Se 9 , V 5 Se 8 , V 3 Se 4 , V 5 Se 4 , VMn, and VMn 4 ) provide a number of candidates as potential interfacial layers in other heterostructures.…”