Sudoku-inspired high-Shannon-entropy alloys

Current definition of high-entropy alloys (HEAs) is commonly based on the configurational entropy. But this depends only chemical composition a HEA and therefore cannot distinguish information content that encoded in various local atomic arrangements measurable by Shannon entropy theory. Here, inspired finding two-dimensional (2D) Sudoku matrices exhibit higher average than 2D random matrix counterparts, we propose high-Shannon-entropy (HSEA), whose structures are 3D matrices. Despite constraints to form 4 × matrix, find that, prototypical HSEA, NbMoTaW has lower energy same with structure due smaller lattice distortion. We compute electronic mechanical properties HSEA exhibits enhanced Fermi velocity ductility over HEA. Finally, evaluate formation energies single vacancies vacancy cluster configurations mimic puzzles one several missing numbers, respectively. range large required generate such vacancies, which depend location species atoms. Our work shows introducing HEAs offers useful metric reveal more details HSEAs represent an uncharted domain complicated landscape may be endowed improved properties.