Cu1Rh1Zn2
Cu1Rh1Zn2 is a stable, semiconducting ternary alloy composed of copper, rhodium, and zinc, designed for use in advanced catalytic applications.
About Cu1Rh1Zn2
Cu1Rh1Zn2 is a distinct semiconducting alloy within the platinum-group catalyst family. Its position on the thermodynamic convex hull indicates high structural stability, making it a reliable candidate for complex chemical transformations where consistent material integrity is essential. The integration of copper, rhodium, and zinc creates a unique electronic environment that distinguishes it from simpler binary metallic systems. This material is primarily investigated for its potential to facilitate specialized catalytic reactions, leveraging the synergistic effects of its constituent transition metals to optimize surface reactivity and selectivity. Its stability ensures that it maintains its phase identity under demanding operational conditions.
Key Properties
Cross-validated computational properties for Cu1Rh1Zn2, 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 Cu1Rh1Zn2, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -3.772 | 9.51 |
| Immm (No. 71) | orthorhombic | 0.56 | 1.9429 | -1.829 | 0.73 |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Cu1Rh1Zn2 is used.
Frequently Asked Questions
Common questions about Cu1Rh1Zn2, answered from cross-validated data.
What is Cu1Rh1Zn2?
Cu1Rh1Zn2 is a stable, semiconducting ternary alloy composed of copper, rhodium, and zinc, designed for use in advanced catalytic applications.
What is Cu1Rh1Zn2 used for?
What is the band gap of Cu1Rh1Zn2?
Is Cu1Rh1Zn2 a metal, semiconductor, or insulator?
Is Cu1Rh1Zn2 thermodynamically stable?
What is the crystal structure of Cu1Rh1Zn2?
What is the density of Cu1Rh1Zn2?
How many polymorphs of Cu1Rh1Zn2 are known?
What elements does Cu1Rh1Zn2 contain?
Where does the data for Cu1Rh1Zn2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike many binary platinum-group compounds such as LaRh or BaPd, which often exhibit metallic behavior, Cu1Rh1Zn2 stands out due to its semiconducting electronic character. While siblings like Ga2Ru or GeRu are frequently studied for their specific structural geometries, this ternary alloy offers a more complex coordination environment that can be tuned for specific catalytic pathways, positioning it as a versatile alternative to more traditional, purely metallic platinum-group catalysts.
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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