biostudies-literatureMatsumoto KMEXT | Japan Society for the Promotion of ScienceMEXT | Japan Society for the Promotion of Science (JSPS)1047https://www.ebi.ac.uk/biostudies/studies/S-EPMC8873263biostudies-literatureUnknown13(1)An infinite number of crystal structures in a multicomponent alloy with a specific atomic ratio can be devised, although only thermodynamically-stable phases can be formed. Here, we experimentally show the first example of a layer-structured pseudo-binary alloy, theoretically called Z3-FePd₃. This Z3 structure is achieved by adding a small amount of In, which is immiscible with Fe but miscible with Pd and consists of an alternate L1₀ (CuAu-type)-PdFePd trilayer and Pd-In ordered alloy monolayer along the c axis. First-principles calculations strongly support that the specific inter-element miscibility of In atoms stabilizes the thermodynamically-unstable Z3-FePd₃ phase without significantly changing the original density of states of the Z3-FePd₃ phase. Our results demonstrate that the specific inter-element miscibility can switch stable structures and manipulate the material nature with a slight composition change.Nature communicationsInter-element miscibility driven stabilization of ordered pseudo-binary alloy.PMC8873263JP16H03826JP19H05634Inagaki YAuchi MTeranishi TYamauchi MKurata HYamazoe SSato RHaruta MMatsumoto KKudo MTatetsu YHoribe YTakahata RToriyama TfalseInter-element miscibility driven stabilization of ordered pseudo-binary alloy.An infinite number of crystal structures in a multicomponent alloy with a specific atomic ratio can be devised, although only thermodynamically-stable phases can be formed. Here, we experimentally show the first example of a layer-structured pseudo-binary alloy, theoretically called Z3-FePd₃. This Z3 structure is achieved by adding a small amount of In, which is immiscible with Fe but miscible with Pd and consists of an alternate L1₀ (CuAu-type)-PdFePd trilayer and Pd-In ordered alloy monolayer along the c axis. First-principles calculations strongly support that the specific inter-element miscibility of In atoms stabilizes the thermodynamically-unstable Z3-FePd₃ phase without significantly changing the original density of states of the Z3-FePd₃ phase. Our results demonstrate that the specific inter-element miscibility can switch stable structures and manipulate the material nature with a slight composition change.2022-01-01T00:00:00Z2022 Feb2025-04-25T22:59:17.527Z2025-04-06T09:11:48.418ZS-EPMC88732633521044110.1038/s41467-022-28710-0