Cu3Ru
Cu3Ru is a metallic alloy of copper and ruthenium studied for its potential catalytic properties and structural complexity.
About Cu3Ru
Cu3Ru is a metallic alloy composed of copper and ruthenium, belonging to the specialized class of platinum-group alloy catalysts. Its electronic structure is characterized by a metallic nature, reflecting the conductive properties inherent to its elemental constituents. Despite its complex structural landscape, it remains a subject of interest for researchers investigating the interplay between transition metals in catalytic systems. The compound is noted for its presence in multiple structural databases, indicating significant experimental and theoretical attention regarding its atomic arrangement. While its thermodynamic stability indicates it exists above the hull, its study provides valuable insights into the synthesis and behavior of copper-ruthenium systems. These materials are primarily explored for their potential to facilitate chemical transformations in industrial and laboratory settings where specific surface interactions are required.
Key Properties
Cross-validated computational properties for Cu3Ru, 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 Cu3Ru, 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 | 0.2728 | -14.218 | 9.60 |
| — | — | — | — | — | 9.64 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 10.64 |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 8.70 |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 9.61 |
| C2/c (No. 15) | Monoclinic | — | — | — | 8.96 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 9.35 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 9.53 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
Applications
Where Cu3Ru is used.
Frequently Asked Questions
Common questions about Cu3Ru, answered from cross-validated data.
What is Cu3Ru?
Cu3Ru is a metallic alloy of copper and ruthenium studied for its potential catalytic properties and structural complexity.
What is Cu3Ru used for?
What is the band gap of Cu3Ru?
Is Cu3Ru a metal, semiconductor, or insulator?
Is Cu3Ru thermodynamically stable?
What is the crystal structure of Cu3Ru?
What is the density of Cu3Ru?
How many polymorphs of Cu3Ru are known?
What elements does Cu3Ru contain?
Where does the data for Cu3Ru come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloy catalysts, Cu3Ru represents a distinct metallic phase compared to more stable or naturally occurring intermetallics like GeRu or Ga2Ru. While many members of this class are investigated for their robust catalytic performance, Cu3Ru is distinguished by its unique structural diversity, having been documented across numerous databases despite its thermodynamic position.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
- 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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