GaRu
GaRu is a stable, metallic intermetallic alloy composed of gallium and ruthenium that is studied for its catalytic potential.
About GaRu
GaRu is a metallic intermetallic compound belonging to the platinum-group alloy catalyst family. Its position on the convex hull confirms its thermodynamic stability, making it a robust candidate for chemical processes requiring durable, high-performance metallic phases. The material is characterized by a high degree of structural complexity, supported by extensive data across multiple databases. Its metallic electronic character suggests high electrical conductivity, which is a critical feature for catalytic applications involving electron transfer. By leveraging the unique coordination environments provided by the gallium and ruthenium framework, this compound serves as a specialized building block in materials engineering. It is primarily investigated for its potential in heterogeneous catalysis, where the synergistic interaction between the transition metal and the post-transition metal element can tune surface reactivity.
Key Properties
Cross-validated computational properties for GaRu, 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 GaRu. 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 GaRu, 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 | 0.0003 | -0.298 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0005 | -18.766 | 10.49 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0222 | -0.236 | — |
| — | — | 0.00 | 0.0513 | -0.247 | — |
| — | — | 0.00 | 0.1413 | -0.157 | — |
| — | — | 0.00 | 0.4935 | 0.195 | — |
| — | — | 0.00 | 0.5013 | 0.203 | — |
| — | — | 0.00 | 0.5252 | 0.227 | — |
| — | — | 0.00 | 1.3233 | 1.025 | — |
| P1 (No. 1) | triclinic | — | — | — | 5.20 |
| P1 (No. 1) | triclinic | — | — | — | 5.67 |
| P1 (No. 1) | triclinic | — | — | — | 7.50 |
Applications
Where GaRu is used.
Frequently Asked Questions
Common questions about GaRu, answered from cross-validated data.
What is GaRu?
GaRu is a stable, metallic intermetallic alloy composed of gallium and ruthenium that is studied for its catalytic potential.
What is GaRu used for?
What is the band gap of GaRu?
Is GaRu a metal, semiconductor, or insulator?
Is GaRu thermodynamically stable?
What is the crystal structure of GaRu?
What is the density of GaRu?
How many polymorphs of GaRu are known?
What elements does GaRu contain?
Where does the data for GaRu come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse class of platinum-group alloys, GaRu stands out for its structural richness compared to simpler binary phases like BaPd or LaRh. While it shares the metallic nature inherent to this group, its specific stoichiometry distinguishes it from related ruthenium-based systems such as Ga2Ru or GeRu, providing a unique electronic landscape that influences its catalytic behavior and phase 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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