MoRh
MoRh is a thermodynamically stable, metallic intermetallic alloy composed of molybdenum and rhodium that is utilized in catalytic research.
About MoRh
MoRh is a metallic intermetallic compound composed of molybdenum and rhodium. As a member of the platinum-group alloy catalyst class, it sits on the convex hull, indicating high thermodynamic stability that makes it a robust candidate for demanding chemical environments. Its electronic structure is characterized by metallic conductivity, which is essential for efficient electron transfer in catalytic processes. The compound is supported by a wealth of structural data, reflecting its significance in materials research. It is primarily investigated for its potential to replace or enhance traditional precious metal catalysts in industrial chemical synthesis and electrochemical reactions. By leveraging the synergistic effects of its constituent elements, MoRh offers a promising pathway for developing more durable and cost-effective catalytic materials.
Key Properties
Cross-validated computational properties for MoRh, aggregated across 4 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 MoRh. 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 MoRh, 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. |
|---|---|---|---|---|---|
| Pmma (No. 51) | orthorhombic | 0.00 | 0.0000 | -0.210 | — |
| Pmma (No. 51) | orthorhombic | 0.00 | 0.0000 | -25.298 | 11.36 |
| — | — | 0.00 | 0.0000 | -0.197 | — |
| — | — | 0.00 | 0.0982 | -0.099 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1004 | -25.198 | 11.00 |
| — | — | 0.00 | 0.1622 | -0.035 | — |
| — | — | 0.00 | 0.1712 | -0.026 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.5078 | 0.298 | — |
| — | — | 0.00 | 0.5120 | 0.315 | — |
| — | — | 0.00 | 0.9831 | 0.786 | — |
| — | — | 0.00 | 1.3785 | 1.181 | — |
| P1 (No. 1) | triclinic | — | — | — | 10.22 |
Applications
Where MoRh is used.
Frequently Asked Questions
Common questions about MoRh, answered from cross-validated data.
What is MoRh?
MoRh is a thermodynamically stable, metallic intermetallic alloy composed of molybdenum and rhodium that is utilized in catalytic research.
What is MoRh used for?
What is the band gap of MoRh?
Is MoRh a metal, semiconductor, or insulator?
Is MoRh thermodynamically stable?
What is the crystal structure of MoRh?
How many polymorphs of MoRh are known?
What elements does MoRh contain?
Where does the data for MoRh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloy catalysts, MoRh distinguishes itself through its position on the convex hull, ensuring superior stability compared to less thermodynamically favored phases like Ga2Ru or GeRu. While compounds such as LaRh or As2Ir are often studied for their specific magnetic or superconducting properties, MoRh is primarily valued for its structural integrity and metallic character, positioning it as a reliable workhorse in catalytic applications where long-term phase stability is critical.
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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