title: The new face of rhodium alloys: revealing ordered structures from first principles.
abstract: The experimental and computational data on rhodium binary alloys is sparse despite its importance in numerous applications, especially as an alloying agent in catalytic materials. Half of the Rh-transition metal systems (14 out of 28) are reported to be phase separating or are lacking experimental data. Comprehensive high-throughput first-principles calculations predict stable ordered structures in 9 of those 14 binary systems. They also predict a few unreported compounds in the known compound-forming systems. These results indicate the need for an extensive revision of our current understanding of Rh alloys through a combination of theoretical predictions and experimental validations.
authors.affiliation: Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA.
authors.forename: Ohad
authors.initials: O
authors.lastname: Levy
authors.forename: Roman V
authors.initials: RV
authors.lastname: Chepulskii
authors.forename: Gus L W
authors.initials: GL
authors.lastname: Hart
authors.forename: Stefano
authors.initials: S
authors.lastname: Curtarolo