MgMoRu2
MgMoRu2 is a semimetallic ternary alloy composed of magnesium, molybdenum, and ruthenium that is studied for its potential role in catalytic applications.
About MgMoRu2
MgMoRu2 is a ternary intermetallic compound classified within the platinum-group alloy catalyst family. Characterized by a near-zero-gap electronic structure, it functions as a semimetal, which is a critical feature for materials intended to facilitate efficient charge transfer in catalytic environments. Its structural complexity is evidenced by multiple reported configurations across various databases. Given its position above the thermodynamic hull, it is considered a metastable phase, suggesting that its synthesis requires precise control over processing conditions to stabilize the desired atomic arrangement. This compound is of significant interest to researchers investigating the interplay between transition metal d-orbitals and light-element modifiers in catalytic design.
Key Properties
Cross-validated computational properties for MgMoRu2, aggregated across 3 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 MgMoRu2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.08 | 3.2388 | -4.597 | 0.62 |
| — | — | — | — | — | 8.88 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 6.86 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 10.13 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 8.10 |
Applications
Where MgMoRu2 is used.
Frequently Asked Questions
Common questions about MgMoRu2, answered from cross-validated data.
What is MgMoRu2?
MgMoRu2 is a semimetallic ternary alloy composed of magnesium, molybdenum, and ruthenium that is studied for its potential role in catalytic applications.
What is MgMoRu2 used for?
What is the band gap of MgMoRu2?
Is MgMoRu2 a metal, semiconductor, or insulator?
Is MgMoRu2 thermodynamically stable?
What is the crystal structure of MgMoRu2?
What is the density of MgMoRu2?
How many polymorphs of MgMoRu2 are known?
What elements does MgMoRu2 contain?
Where does the data for MgMoRu2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloy catalysts, MgMoRu2 occupies a unique niche compared to more conventional binary systems like GeRu or Ga2Ru. While many of its siblings, such as As2Pt or IrSe2, exhibit well-defined stoichiometric stability, MgMoRu2 represents a more challenging synthetic target due to its metastable nature. It shares the metallic or semimetallic character common to the class, yet its inclusion of magnesium as a light-element modifier distinguishes its electronic density of states from the heavier, more rigid structures found in compounds like BaPd or LaRh.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
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