MnRu
MnRu is a metallic, metastable alloy composed of manganese and ruthenium that is primarily investigated for its catalytic potential.
About MnRu
MnRu is a metallic compound belonging to the platinum-group alloy catalyst class. Its electronic structure is characterized by a lack of a band gap, consistent with its metallic nature and potential for facilitating rapid electron transfer in catalytic environments. While it has been the subject of significant structural investigation across multiple databases, it is considered thermodynamically metastable, existing above the hull in terms of its energy profile.
This material is of interest to researchers studying transition metal alloys for specialized catalytic applications. Its composition leverages the unique properties of manganese and ruthenium to explore new pathways in chemical synthesis and surface science, where metallic conductivity is a prerequisite for performance.
Key Properties
Cross-validated computational properties for MnRu, 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 MnRu. 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 MnRu, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0264 | 0.025 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0324 | 0.032 | — |
| — | — | 0.00 | 0.0473 | 0.046 | — |
| — | — | 0.00 | 0.1343 | 0.133 | — |
| — | — | 0.00 | 0.1473 | 0.146 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.2781 | -19.818 | 10.68 |
| — | — | 0.00 | 0.8817 | 0.880 | — |
| — | — | 0.00 | 1.1654 | 1.164 | — |
| P-1 (No. 2) | triclinic | — | — | — | 7.62 |
| P1 (No. 1) | triclinic | — | — | — | 6.19 |
| P1 (No. 1) | triclinic | — | — | — | 9.11 |
| P1 (No. 1) | triclinic | — | — | — | 4.36 |
Applications
Where MnRu is used.
Frequently Asked Questions
Common questions about MnRu, answered from cross-validated data.
What is MnRu?
MnRu is a metallic, metastable alloy composed of manganese and ruthenium that is primarily investigated for its catalytic potential.
What is MnRu used for?
What is the band gap of MnRu?
Is MnRu a metal, semiconductor, or insulator?
Is MnRu thermodynamically stable?
How many polymorphs of MnRu are known?
What elements does MnRu contain?
Where does the data for MnRu come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloys, MnRu occupies a distinct position compared to more thermodynamically stable counterparts like GeRu. Unlike many of its siblings that exhibit high structural persistence, MnRu is noted for its metastability, making it a subject of interest for fundamental studies on phase stability and the synthesis of non-equilibrium catalytic materials.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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