CoRu
CoRu is a metallic binary alloy of cobalt and ruthenium primarily studied for its potential applications in catalytic science.
About CoRu
CoRu is a metallic binary alloy composed of cobalt and ruthenium. As a member of the platinum-group alloy catalyst class, it is characterized by its conductive electronic nature, which is typical for intermetallic systems of this type. The material has been identified in numerous structural configurations across various databases, highlighting significant interest in its atomic arrangement despite its status as a thermodynamically unstable phase. Its potential utility lies in the unique synergistic effects between the transition metal components, which are often leveraged to tune catalytic activity in chemical processing. While its thermodynamic profile suggests it may be difficult to synthesize in a perfectly stable form, it remains a subject of investigation for those studying high-performance catalytic surfaces.
Key Properties
Cross-validated computational properties for CoRu, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CoRu. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for CoRu, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.1045 | 0.096 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1412 | 0.135 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1420 | 0.136 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1432 | 0.137 | — |
| — | — | 0.00 | 0.1475 | 0.139 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1510 | -19.178 | 10.66 |
| — | — | 0.00 | 0.1775 | 0.169 | — |
| — | — | 0.00 | 0.1967 | 0.188 | — |
| — | — | 0.00 | 0.2150 | 0.207 | — |
| — | — | 0.00 | 0.2437 | 0.235 | — |
| — | — | 0.00 | 0.2708 | 0.262 | — |
| — | — | 0.00 | 0.3444 | 0.336 | — |
Applications
Where CoRu is used.
Frequently Asked Questions
Common questions about CoRu, answered from cross-validated data.
What is CoRu?
CoRu is a metallic binary alloy of cobalt and ruthenium primarily studied for its potential applications in catalytic science.
What is CoRu used for?
What is the band gap of CoRu?
Is CoRu a metal, semiconductor, or insulator?
Is CoRu thermodynamically stable?
How many polymorphs of CoRu are known?
What elements does CoRu contain?
Where does the data for CoRu come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, CoRu occupies a niche position alongside materials like GeRu and Ga2Ru. Unlike more stable or common binary intermetallics, CoRu is frequently examined for its structural complexity, reflecting the broad range of phases found in transition metal combinations that, like P3Ru or BaPd, challenge standard thermodynamic predictions.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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