Cu1Rh1Zr2
Cu1Rh1Zr2 is a semiconducting ternary alloy of copper, rhodium, and zirconium that is primarily investigated for its complex structural behavior and metastable properties.
About Cu1Rh1Zr2
Cu1Rh1Zr2 is a complex ternary alloy categorized within the platinum-group metal catalyst family. Its electronic character is defined as semiconducting, which distinguishes it from the metallic behavior typically expected in similar transition metal alloys. The material exhibits a high degree of structural diversity, as evidenced by its numerous reported configurations in crystallographic databases.
Despite its interesting electronic properties, the compound is characterized as being above the thermodynamic hull, suggesting it is likely unstable under standard conditions. This thermodynamic profile makes it a subject of significant interest for researchers studying phase stability and the synthesis of metastable intermetallic phases in catalytic applications.
Key Properties
Cross-validated computational properties for Cu1Rh1Zr2, 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 Cu1Rh1Zr2, 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 | 0.15 | 3.2546 | -4.359 | 0.68 |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
Applications
Where Cu1Rh1Zr2 is used.
Frequently Asked Questions
Common questions about Cu1Rh1Zr2, answered from cross-validated data.
What is Cu1Rh1Zr2?
Cu1Rh1Zr2 is a semiconducting ternary alloy of copper, rhodium, and zirconium that is primarily investigated for its complex structural behavior and metastable properties.
What is Cu1Rh1Zr2 used for?
What is the band gap of Cu1Rh1Zr2?
Is Cu1Rh1Zr2 a metal, semiconductor, or insulator?
Is Cu1Rh1Zr2 thermodynamically stable?
What is the crystal structure of Cu1Rh1Zr2?
What is the density of Cu1Rh1Zr2?
How many polymorphs of Cu1Rh1Zr2 are known?
What elements does Cu1Rh1Zr2 contain?
Where does the data for Cu1Rh1Zr2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the class of platinum-group alloy catalysts, Cu1Rh1Zr2 occupies a unique position compared to more stable siblings like LaRh or GeRu. While many members of this group are studied for their robust catalytic performance in industrial processes, the metastable nature of this copper-rhodium-zirconium alloy highlights the challenges in synthesizing complex ternary phases that deviate from the more common, highly stable binary intermetallics found in the family.
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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