MnRu2W
MnRu2W is a semiconducting intermetallic alloy containing manganese, ruthenium, and tungsten that is being studied for its potential role in catalytic materials science.
About MnRu2W
MnRu2W is an intriguing member of the platinum-group alloy catalyst class, characterized by its semiconducting electronic nature. Its composition, involving manganese, ruthenium, and tungsten, positions it as a complex intermetallic system of interest for specialized catalytic applications.
Despite its existence across multiple structural databases, the compound is noted for being thermodynamically unstable relative to the ground state. This metastability makes it a subject of significant interest for researchers investigating phase stability and the synthesis of novel catalytic materials.
Key Properties
Cross-validated computational properties for MnRu2W, 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 MnRu2W, 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 | 0.24 | 3.7511 | -25.516 | 1.00 |
| P4/mmm (No. 123) | — | — | — | — | — |
| — | — | — | — | — | 13.05 |
| — | — | — | — | — | 12.58 |
| — | — | — | — | — | 12.83 |
| — | — | — | — | — | 12.58 |
| — | — | — | — | — | 12.67 |
| — | — | — | — | — | 12.58 |
Applications
Where MnRu2W is used.
Frequently Asked Questions
Common questions about MnRu2W, answered from cross-validated data.
What is MnRu2W?
MnRu2W is a semiconducting intermetallic alloy containing manganese, ruthenium, and tungsten that is being studied for its potential role in catalytic materials science.
What is MnRu2W used for?
What is the band gap of MnRu2W?
Is MnRu2W a metal, semiconductor, or insulator?
Is MnRu2W thermodynamically stable?
What is the crystal structure of MnRu2W?
What is the density of MnRu2W?
How many polymorphs of MnRu2W are known?
What elements does MnRu2W contain?
Where does the data for MnRu2W come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, MnRu2W occupies a distinct niche compared to more stable or common counterparts like Ga2Ru or GeRu. While many members of this class are explored for their robust metallic properties, MnRu2W stands out due to its semiconducting character and its position above the thermodynamic hull, suggesting a more complex synthesis pathway than its more stable siblings.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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