Cr1Mn2Ru1
Cr1Mn2Ru1 is a semimetallic ternary alloy composed of chromium, manganese, and ruthenium that is primarily studied for its structural properties.
About Cr1Mn2Ru1
Cr1Mn2Ru1 is a complex ternary alloy belonging to the platinum-group catalyst family. Characterized by its near-zero-gap semimetallic electronic structure, this material represents a unique intersection of transition metals that are often studied for their potential catalytic activity in specialized chemical processes. Despite its structural diversity, the compound is found above the thermodynamic hull, suggesting inherent metastability under standard conditions. Its existence is documented through a significant number of reported structures, highlighting its role as a subject of interest in computational materials discovery and phase stability research.
Key Properties
Cross-validated computational properties for Cr1Mn2Ru1, aggregated across 2 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 Cr1Mn2Ru1, 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 | 0.06 | 3.3374 | -14.150 | 0.55 |
| Pm (No. 6) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
Applications
Where Cr1Mn2Ru1 is used.
Frequently Asked Questions
Common questions about Cr1Mn2Ru1, answered from cross-validated data.
What is Cr1Mn2Ru1?
Cr1Mn2Ru1 is a semimetallic ternary alloy composed of chromium, manganese, and ruthenium that is primarily studied for its structural properties.
What is Cr1Mn2Ru1 used for?
What is the band gap of Cr1Mn2Ru1?
Is Cr1Mn2Ru1 a metal, semiconductor, or insulator?
Is Cr1Mn2Ru1 thermodynamically stable?
What is the crystal structure of Cr1Mn2Ru1?
What is the density of Cr1Mn2Ru1?
How many polymorphs of Cr1Mn2Ru1 are known?
What elements does Cr1Mn2Ru1 contain?
Where does the data for Cr1Mn2Ru1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, Cr1Mn2Ru1 stands out as a metastable ternary phase compared to more stable, binary counterparts like GeRu or Ga2Ru. While many members of this class, such as As2Pt or IrSe2, exhibit well-defined stoichiometric stability, Cr1Mn2Ru1 reflects the complexity of balancing multiple transition metal components, often resulting in a more challenging synthesis profile than its simpler, more robust 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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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