Mn2MoRh
Mn2MoRh is a semiconducting ternary alloy containing manganese, molybdenum, and rhodium that is studied for its unique catalytic potential.
About Mn2MoRh
Mn2MoRh is a complex ternary alloy categorized within the platinum-group catalyst family. Characterized by a semiconducting electronic structure, this material represents a unique intersection of transition metals that warrants further investigation into its chemical reactivity and phase behavior. Although it is currently identified as being above the thermodynamic hull, its existence across multiple structural databases suggests it remains a subject of interest for fundamental materials research. The compound is primarily studied to understand how the inclusion of manganese and molybdenum influences the catalytic properties typically associated with rhodium-based systems. Its potential utility lies in specialized catalytic processes where specific electronic band structures are required to facilitate complex surface reactions.
Key Properties
Cross-validated computational properties for Mn2MoRh, 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 Mn2MoRh, 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 | 0.11 | 3.5940 | -16.548 | 0.51 |
| P2/m (No. 10) | — | — | — | — | — |
| — | — | — | — | — | 10.64 |
| — | — | — | — | — | 9.34 |
Applications
Where Mn2MoRh is used.
Frequently Asked Questions
Common questions about Mn2MoRh, answered from cross-validated data.
What is Mn2MoRh?
Mn2MoRh is a semiconducting ternary alloy containing manganese, molybdenum, and rhodium that is studied for its unique catalytic potential.
What is Mn2MoRh used for?
What is the band gap of Mn2MoRh?
Is Mn2MoRh a metal, semiconductor, or insulator?
Is Mn2MoRh thermodynamically stable?
What is the crystal structure of Mn2MoRh?
What is the density of Mn2MoRh?
How many polymorphs of Mn2MoRh are known?
What elements does Mn2MoRh contain?
Where does the data for Mn2MoRh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse class of platinum-group alloys, Mn2MoRh is distinct due to its ternary composition compared to simpler binary systems like LaRh or BaPd. While many members of this group, such as As2Ir or Ga2Ru, are often explored for their robust stability and metallic character, Mn2MoRh stands out as a semiconducting variant that challenges standard expectations for this material family, positioning it as a niche candidate for exploratory synthesis.
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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