CeRh
CeRh is a thermodynamically stable metallic alloy composed of cerium and rhodium, primarily investigated for its potential in catalytic surface applications.
About CeRh
CeRh is a metallic intermetallic compound that occupies a stable position on the convex hull, indicating significant thermodynamic robustness. As a member of the platinum-group alloy catalyst family, it leverages the unique electronic interactions between cerium and rhodium to facilitate complex chemical transformations.
This material is of particular interest in catalytic research due to its structural diversity, with numerous reported phases across scientific databases. Its metallic nature allows for efficient electron transfer, making it a subject of study for advanced surface chemistry and heterogeneous catalysis applications.
Key Properties
Cross-validated computational properties for CeRh, 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 CeRh. 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 CeRh, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0000 | -28.293 | 9.28 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0000 | -0.804 | — |
| — | — | 0.00 | 0.0000 | -0.609 | — |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0000 | -0.804 | — |
| — | — | 0.00 | 0.0738 | -0.535 | — |
| — | — | 0.00 | 0.1731 | -0.436 | — |
| — | — | 0.00 | 0.2224 | -0.387 | — |
| — | — | 0.00 | 0.3173 | -0.292 | — |
| — | — | 0.00 | 0.4707 | -0.139 | — |
| — | — | 0.34 | 0.7347 | 0.125 | — |
| Cmcm (No. 63) | orthorhombic | — | — | — | 9.56 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 9.38 |
Applications
Where CeRh is used.
Frequently Asked Questions
Common questions about CeRh, answered from cross-validated data.
What is CeRh?
CeRh is a thermodynamically stable metallic alloy composed of cerium and rhodium, primarily investigated for its potential in catalytic surface applications.
What is CeRh used for?
What is the band gap of CeRh?
Is CeRh a metal, semiconductor, or insulator?
Is CeRh thermodynamically stable?
What is the crystal structure of CeRh?
What is the density of CeRh?
How many polymorphs of CeRh are known?
What elements does CeRh contain?
Where does the data for CeRh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader family of platinum-group alloys, CeRh stands out for its stability compared to more complex or less ordered phases like As2Pt or Ga2Ru. While it shares the metallic character typical of this class, its specific stoichiometry and structural arrangements differentiate it from siblings like LaRh, which often serves as a non-magnetic or structural reference point in comparative studies of rare-earth rhodium alloys.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
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