GaRh
GaRh is a thermodynamically stable, metallic intermetallic compound used in the development of advanced platinum-group alloy catalysts.
About GaRh
GaRh is a metallic intermetallic compound belonging to the class of platinum-group alloy catalysts. Its position on the convex hull confirms its thermodynamic stability, ensuring structural integrity in demanding chemical environments. This stability makes it a reliable candidate for catalytic research where phase persistence is critical.
As a metallic system, GaRh facilitates efficient electron transport, a key requirement for surface-mediated catalytic reactions. Its structural diversity, evidenced by numerous reported configurations, highlights its versatility as a material platform for tuning catalytic activity and selectivity in industrial processes.
Key Properties
Cross-validated computational properties for GaRh, 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 GaRh. 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 GaRh, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -0.620 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -5.876 | 10.55 |
| — | — | 0.00 | 0.0004 | -0.690 | — |
| — | — | 0.00 | 0.0019 | -0.688 | — |
| — | — | 0.00 | 0.1299 | -0.560 | — |
| — | — | 0.00 | 0.2008 | -0.489 | — |
| — | — | 0.00 | 0.3606 | -0.330 | — |
| — | — | 0.00 | 0.9050 | 0.215 | — |
| P-1 (No. 2) | triclinic | — | — | — | 9.60 |
| P-1 (No. 2) | triclinic | — | — | — | 9.79 |
| P-1 (No. 2) | triclinic | — | — | — | 8.39 |
| P-1 (No. 2) | triclinic | — | — | — | 8.94 |
Applications
Where GaRh is used.
Frequently Asked Questions
Common questions about GaRh, answered from cross-validated data.
What is GaRh?
GaRh is a thermodynamically stable, metallic intermetallic compound used in the development of advanced platinum-group alloy catalysts.
What is GaRh used for?
What is the band gap of GaRh?
Is GaRh a metal, semiconductor, or insulator?
Is GaRh thermodynamically stable?
What is the crystal structure of GaRh?
How many polymorphs of GaRh are known?
What elements does GaRh contain?
Where does the data for GaRh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, GaRh distinguishes itself through its robust thermodynamic stability compared to more complex systems like Ga2Ru. While many members of this class, such as LaRh or BaPd, are studied for their unique electronic configurations, GaRh provides a stable, metallic foundation that serves as a benchmark for evaluating the performance of gallium-rhodium binary systems in catalytic applications.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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