As2Rh
As2Rh is a stable, semiconducting intermetallic compound composed of rhodium and arsenic that serves as a specialized material in catalytic research.
About As2Rh
As2Rh is a distinct semiconducting intermetallic compound within the platinum-group alloy catalyst family. As a thermodynamically stable phase located on the convex hull, it demonstrates robust structural integrity, making it a significant subject for researchers investigating stable catalytic surfaces. Its unique electronic character distinguishes it from metallic counterparts, offering potential for specialized electronic and catalytic applications. The material is well-documented in structural databases, reflecting its importance in fundamental materials science studies. Its stability ensures that it maintains its phase identity under various conditions, which is a critical requirement for practical catalyst development and long-term performance in chemical processes.
Key Properties
Cross-validated computational properties for As2Rh, aggregated across 3 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.
Reported Structures
Lowest-energy structures reported for As2Rh, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.26 | 0.0000 | -18.423 | 8.01 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.04 |
| P21/c (No. 14) | Monoclinic | — | — | — | 7.77 |
| P21/c (No. 14) | Monoclinic | — | — | — | 8.35 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.14 |
| C2 (No. 5) | Monoclinic | — | — | — | 7.04 |
| Pc (No. 7) | Monoclinic | — | — | — | 7.85 |
| P-1 (No. 2) | Triclinic | — | — | — | 10.98 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.89 |
| P-1 (No. 2) | Triclinic | — | — | — | 8.32 |
| Cm (No. 8) | Monoclinic | — | — | — | 10.54 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.39 |
Applications
Where As2Rh is used.
Frequently Asked Questions
Common questions about As2Rh, answered from cross-validated data.
What is As2Rh?
As2Rh is a stable, semiconducting intermetallic compound composed of rhodium and arsenic that serves as a specialized material in catalytic research.
What is As2Rh used for?
What is the band gap of As2Rh?
Is As2Rh a metal, semiconductor, or insulator?
Is As2Rh thermodynamically stable?
What is the crystal structure of As2Rh?
What is the density of As2Rh?
How many polymorphs of As2Rh are known?
What elements does As2Rh contain?
Where does the data for As2Rh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloys, As2Rh occupies a specialized niche due to its semiconducting nature, contrasting with the more metallic behavior typically observed in siblings like LaRh or BaPd. While compounds such as As2Pt share similar stoichiometry and structural motifs, As2Rh provides a distinct electronic environment that influences its catalytic activity and interaction with substrates compared to other pnictide-based alloys like As2Ir.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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