MoRu
MoRu is a metastable metallic alloy consisting of molybdenum and ruthenium that is primarily used in catalytic research.
About MoRu
MoRu is a metallic binary alloy composed of molybdenum and ruthenium. As a member of the platinum-group alloy catalyst class, it exhibits conductive electronic behavior and is characterized as a metastable phase that has been extensively documented across multiple structural databases. Its existence as a metastable compound makes it a subject of significant interest for researchers investigating phase stability and catalytic activity. The material is primarily utilized in advanced materials research where the synergistic effects of molybdenum and noble metal alloying are explored for specialized chemical processes. Its metallic nature and structural diversity suggest potential roles in high-performance catalytic applications where specific surface geometries are required to optimize reaction pathways.
Key Properties
Cross-validated computational properties for MoRu, 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 MoRu. 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 MoRu, 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. |
|---|---|---|---|---|---|
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0883 | 0.046 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1000 | -25.683 | 10.97 |
| — | — | 0.00 | 0.1014 | 0.064 | — |
| — | — | 0.00 | 0.1652 | 0.128 | — |
| — | — | 0.00 | 0.2164 | 0.179 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.3741 | 0.332 | — |
| — | — | 0.00 | 0.3814 | 0.344 | — |
| — | — | 0.00 | 0.9135 | 0.876 | — |
| — | — | 0.00 | 1.4136 | 1.377 | — |
| P1 (No. 1) | triclinic | — | — | — | 8.26 |
| P1 (No. 1) | triclinic | — | — | — | 11.51 |
| P1 (No. 1) | triclinic | — | — | — | 11.29 |
Applications
Where MoRu is used.
Frequently Asked Questions
Common questions about MoRu, answered from cross-validated data.
What is MoRu?
MoRu is a metastable metallic alloy consisting of molybdenum and ruthenium that is primarily used in catalytic research.
What is MoRu used for?
What is the band gap of MoRu?
Is MoRu a metal, semiconductor, or insulator?
Is MoRu thermodynamically stable?
What is the crystal structure of MoRu?
How many polymorphs of MoRu are known?
What elements does MoRu contain?
Where does the data for MoRu come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloys, MoRu occupies a distinct position compared to more stable or stoichiometric counterparts like GeRu or LaRh. While many members of this class are investigated for their robust catalytic performance, MoRu is notable for its metastability, which offers a different structural landscape for experimental study compared to the more commonly synthesized iridium or palladium-based alloys such as As2Ir or BaPd.
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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