AsRh
AsRh is a metastable, metallic intermetallic compound composed of arsenic and rhodium that is studied for its catalytic potential.
About AsRh
AsRh is a metallic compound belonging to the platinum-group alloy catalyst class. Characterized by its lack of a band gap, this material exhibits the typical electronic behavior of a conductor, making it a subject of interest for specialized catalytic applications.
Despite its metastable nature, AsRh has been extensively documented, with a significant number of reported structures across major databases. This data richness underscores its importance in understanding the complex phase behavior of rhodium-based intermetallic systems.
Key Properties
Cross-validated computational properties for AsRh, 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 AsRh. 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 AsRh, 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 | 0.0030 | -0.492 | — |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0039 | -0.421 | — |
| — | — | 0.00 | 0.0078 | -0.487 | — |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0269 | -19.946 | 9.44 |
| — | — | 0.00 | 0.0866 | -0.408 | — |
| — | — | 0.00 | 0.0866 | -0.408 | — |
| — | — | 0.00 | 0.2454 | -0.249 | — |
| — | — | 0.00 | 0.2700 | -0.225 | — |
| — | — | 0.00 | 0.3146 | -0.180 | — |
| — | — | 0.00 | 0.3218 | -0.173 | — |
| — | — | 0.00 | 0.3472 | -0.147 | — |
| — | — | 0.00 | 0.3542 | -0.140 | — |
Applications
Where AsRh is used.
Frequently Asked Questions
Common questions about AsRh, answered from cross-validated data.
What is AsRh?
AsRh is a metastable, metallic intermetallic compound composed of arsenic and rhodium that is studied for its catalytic potential.
What is AsRh used for?
What is the band gap of AsRh?
Is AsRh a metal, semiconductor, or insulator?
Is AsRh thermodynamically stable?
What is the crystal structure of AsRh?
How many polymorphs of AsRh are known?
What elements does AsRh contain?
Where does the data for AsRh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the group of platinum-group alloys, AsRh occupies a distinct niche compared to more stable or differently structured members like As2Pt or GeRu. While many of its siblings are investigated for their specific stoichiometric arrangements, AsRh stands out due to the high volume of structural data available, reflecting its complex metastable landscape relative to other binary combinations like LaRh or BaPd.
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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