CeAsRh
CeAsRh is a thermodynamically stable, semimetallic ternary alloy containing cerium, arsenic, and rhodium used in advanced materials research.
About CeAsRh
CeAsRh is a thermodynamically stable ternary compound belonging to the platinum-group alloy catalyst class. Characterized by its near-zero-gap semimetallic electronic structure, this material maintains structural integrity on the convex hull, making it a robust candidate for specialized catalytic research.
Its unique composition of cerium, arsenic, and rhodium positions it as a significant subject for studies in electronic transport and surface reactivity. The compound is primarily utilized in fundamental materials science investigations aimed at understanding the interplay between rare-earth elements and platinum-group metals in catalytic environments.
Key Properties
Cross-validated computational properties for CeAsRh, aggregated across 2 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 CeAsRh. 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 CeAsRh, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.03 | 0.0000 | -24.486 | 8.73 |
| Pnma (No. 62) | orthorhombic | 0.01 | 0.0000 | -1.166 | — |
| — | — | 0.00 | 0.0000 | -1.054 | — |
| — | — | 0.00 | 0.0004 | -1.054 | — |
| — | — | 0.00 | 0.0004 | -1.054 | — |
| P63/mmc (No. 194) | hexagonal | 0.04 | 0.0035 | -24.483 | 8.74 |
| P63/mmc (No. 194) | hexagonal | 0.02 | 0.0040 | -1.162 | — |
| — | — | 0.00 | 0.0437 | -1.010 | — |
| — | — | 0.00 | 0.0491 | -1.005 | — |
| — | — | 0.00 | 0.0925 | -0.962 | — |
| — | — | 0.00 | 0.1134 | -0.941 | — |
| — | — | 0.00 | 0.1778 | -0.876 | — |
Applications
Where CeAsRh is used.
Frequently Asked Questions
Common questions about CeAsRh, answered from cross-validated data.
What is CeAsRh?
CeAsRh is a thermodynamically stable, semimetallic ternary alloy containing cerium, arsenic, and rhodium used in advanced materials research.
What is CeAsRh used for?
What is the band gap of CeAsRh?
Is CeAsRh a metal, semiconductor, or insulator?
Is CeAsRh thermodynamically stable?
What is the crystal structure of CeAsRh?
What is the density of CeAsRh?
How many polymorphs of CeAsRh are known?
What elements does CeAsRh contain?
Where does the data for CeAsRh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, CeAsRh distinguishes itself from siblings like As2Pt and As2Ir through its specific ternary stoichiometry and semimetallic nature. While many members of this class are binary systems, the inclusion of cerium provides a distinct electronic environment that contrasts with the more conventional transition metal-rich phases like Ga2Ru or GeRu.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- 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)
- 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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