Mo3Ru2
Mo3Ru2 is a metastable metallic alloy composed of molybdenum and ruthenium used in the study of platinum-group catalytic materials.
About Mo3Ru2
Mo3Ru2 is a metallic alloy belonging to the platinum-group catalyst family. As a metastable phase, it represents a unique structural arrangement of molybdenum and ruthenium atoms that offers distinct electronic properties for surface-sensitive chemical reactions. Its metallic nature ensures high electrical conductivity, which is a critical trait for materials intended for electrochemical applications. The material is characterized by significant structural diversity, with numerous reported configurations across various databases, highlighting its complex phase space. This complexity makes it a subject of interest for researchers seeking to tune catalytic activity through structural modifications.
Key Properties
Cross-validated computational properties for Mo3Ru2, 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.
Reported Structures
Lowest-energy structures reported for Mo3Ru2, 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. |
|---|---|---|---|---|---|
| Cmm2 (No. 35) | orthorhombic | 0.00 | 0.0675 | -25.773 | 10.64 |
| P1 (No. 1) | Triclinic | — | — | — | 7.99 |
| C2/m (No. 12) | Monoclinic | — | — | — | 10.79 |
| Immm (No. 71) | Orthorhombic | — | — | — | 12.77 |
| P1 (No. 1) | Triclinic | — | — | — | 9.20 |
| P1 (No. 1) | Triclinic | — | — | — | 9.98 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 12.86 |
| C2/m (No. 12) | Monoclinic | — | — | — | 10.84 |
| C2 (No. 5) | Monoclinic | — | — | — | 8.90 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 11.34 |
| C2/m (No. 12) | Monoclinic | — | — | — | 9.82 |
| Cm (No. 8) | Monoclinic | — | — | — | 10.12 |
Applications
Where Mo3Ru2 is used.
Frequently Asked Questions
Common questions about Mo3Ru2, answered from cross-validated data.
What is Mo3Ru2?
Mo3Ru2 is a metastable metallic alloy composed of molybdenum and ruthenium used in the study of platinum-group catalytic materials.
What is Mo3Ru2 used for?
What is the band gap of Mo3Ru2?
Is Mo3Ru2 a metal, semiconductor, or insulator?
Is Mo3Ru2 thermodynamically stable?
What is the crystal structure of Mo3Ru2?
What is the density of Mo3Ru2?
How many polymorphs of Mo3Ru2 are known?
What elements does Mo3Ru2 contain?
Where does the data for Mo3Ru2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, Mo3Ru2 stands out as a metastable metallic system compared to more stable or differently coordinated members like GeRu or Ga2Ru. While many alloys in this class are explored for their robust catalytic performance, Mo3Ru2 provides a different structural template that deviates from the standard geometries found in compounds like As2Pt or BaPd, offering researchers a specialized candidate for investigating non-equilibrium catalytic pathways.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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