Large databases that can be used in the search for new materials with
specific properties remain an elusive goal in materials science. The search
problem is complicated by the fact that the optimal material for a given
application is usually a compromise between a number of materials properties
and the price. In this letter we present a database consisting of the lattice
parameters, bulk moduli, and heats of formation for over 64,000 ordered
metallic alloys, which has been established by direct first-principles
density-functional-theory calculations. Furthermore, we use a concept from
economic theory, the Pareto-optimal set, to determine optimal alloy solutions
for the compromise between low compressibility, high stability and price.Comment: 5 pages, 2 figures, To be published in Appl. Phys. Let