ReRu3
ReRu3 is a thermodynamically stable metallic alloy composed of rhenium and ruthenium, primarily used as a model system in catalytic research.
About ReRu3
ReRu3 is a metallic intermetallic compound belonging to the platinum-group alloy catalyst class. Its position on the convex hull indicates high thermodynamic stability, making it a robust candidate for applications requiring structural integrity under harsh chemical environments. The material exhibits a characteristic metallic electronic structure, which is essential for facilitating efficient electron transfer in catalytic processes. With extensive structural data available across multiple databases, it represents a well-characterized system for fundamental studies in alloy science. This compound is primarily utilized in research contexts where the synergistic effects of rhenium and ruthenium are leveraged to tune catalytic activity and selectivity. Its stability and metallic nature allow it to withstand demanding reaction conditions, positioning it as a valuable subject for developing next-generation industrial catalysts.
Key Properties
Cross-validated computational properties for ReRu3, aggregated across 5 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for ReRu3, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -32.258 | 14.69 |
| P2/m (No. 10) | Monoclinic | — | — | — | 16.55 |
| — | — | — | — | — | 14.38 |
| P63/mmc (No. 194) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 14.68 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 15.89 |
| P1 (No. 1) | Triclinic | — | — | — | 7.93 |
| P3m1 (No. 156) | Trigonal | — | — | — | 13.50 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 12.21 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 12.40 |
| P1 (No. 1) | Triclinic | — | — | — | 13.31 |
Applications
Where ReRu3 is used.
Frequently Asked Questions
Common questions about ReRu3, answered from cross-validated data.
What is ReRu3?
ReRu3 is a thermodynamically stable metallic alloy composed of rhenium and ruthenium, primarily used as a model system in catalytic research.
What is ReRu3 used for?
What is the band gap of ReRu3?
Is ReRu3 a metal, semiconductor, or insulator?
Is ReRu3 thermodynamically stable?
What is the crystal structure of ReRu3?
What is the density of ReRu3?
How many polymorphs of ReRu3 are known?
What elements does ReRu3 contain?
Where does the data for ReRu3 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, ReRu3 stands out as a highly stable binary system compared to more complex or less thermodynamically favored phases like Ga2Ru or GeRu. While many members of this class, such as As2Pt or As2Ir, are studied for their specific pnictide-based catalytic properties, ReRu3 is distinguished by its pure metallic bonding and structural robustness, providing a baseline for understanding how transition metal combinations influence catalytic performance.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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