We report a comprehensive study of the binary systems of the platinum group
metals with the transition metals, using high-throughput first-principles
calculations. These computations predict stability of new compounds in 38
binary systems where no compounds have been reported in the literature
experimentally, and a few dozen of as yet unreported compounds in additional
systems. Our calculations also identify stable structures at compound
compositions that have been previously reported without detailed structural
data and indicate that some experimentally reported compounds may actually be
unstable at low temperatures. With these results we construct enhanced
structure maps for the binary alloys of platinum group metals. These are much
more complete, systematic and predictive than those based on empirical results
alone.Comment: 24 pages, 12 figure
