CrRu
CrRu is a metallic binary alloy of chromium and ruthenium frequently studied for its structural complexity within the platinum-group catalyst class.
About CrRu
CrRu is a metallic binary alloy composed of chromium and ruthenium. As a member of the platinum-group alloy catalyst family, it exhibits characteristic metallic electronic behavior, lacking a band gap and facilitating electron transport essential for catalytic processes.
Despite being identified as thermodynamically unstable relative to the convex hull, this compound is highly significant in materials science research. With a vast number of reported structures across multiple databases, it serves as a critical subject for understanding phase stability and structural diversity in transition metal systems.
Key Properties
Cross-validated computational properties for CrRu, 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 CrRu. 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 CrRu, 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 | 0.0501 | 0.050 | — |
| — | — | 0.00 | 0.0674 | 0.067 | — |
| — | — | 0.00 | 0.0978 | 0.098 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1063 | 0.106 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1069 | 0.107 | — |
| — | — | 0.00 | 0.1246 | 0.125 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1297 | -20.119 | 9.81 |
| — | — | 0.00 | 0.1350 | 0.135 | — |
| — | — | 0.00 | 0.1704 | 0.170 | — |
| — | — | 0.00 | 0.1713 | 0.171 | — |
| — | — | 0.00 | 0.1793 | 0.179 | — |
| — | — | 0.00 | 0.3386 | 0.339 | — |
Applications
Where CrRu is used.
Frequently Asked Questions
Common questions about CrRu, answered from cross-validated data.
What is CrRu?
CrRu is a metallic binary alloy of chromium and ruthenium frequently studied for its structural complexity within the platinum-group catalyst class.
What is CrRu used for?
What is the band gap of CrRu?
Is CrRu a metal, semiconductor, or insulator?
Is CrRu thermodynamically stable?
What is the crystal structure of CrRu?
How many polymorphs of CrRu are known?
What elements does CrRu contain?
Where does the data for CrRu come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, CrRu occupies a distinct position compared to more stable or commercially established members like GeRu or LaRh. While many of its siblings are optimized for specific industrial catalytic pathways, CrRu is primarily studied for its complex structural landscape and the fundamental challenges it presents regarding phase formation and stability.
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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