Cu1Ga1Pd2
Cu1Ga1Pd2 is a thermodynamically stable, semiconducting ternary alloy composed of copper, gallium, and palladium used in catalytic research.
About Cu1Ga1Pd2
Cu1Ga1Pd2 is a distinct semiconducting alloy within the platinum-group metal family. Its position on the convex hull indicates high thermodynamic stability, making it a robust candidate for specialized chemical processes where structural integrity under reaction conditions is paramount. The material is characterized by a significant number of reported structural configurations, reflecting its versatility in solid-state chemistry. It serves as a key subject for researchers investigating the interplay between electronic structure and catalytic performance in multicomponent metallic systems.
Key Properties
Cross-validated computational properties for Cu1Ga1Pd2, 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 Cu1Ga1Pd2, 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 | 0.0009 | -17.532 | 10.46 |
| Immm (No. 71) | orthorhombic | 0.72 | 2.0265 | -15.506 | 0.81 |
| Cm (No. 8) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
Applications
Where Cu1Ga1Pd2 is used.
Frequently Asked Questions
Common questions about Cu1Ga1Pd2, answered from cross-validated data.
What is Cu1Ga1Pd2?
Cu1Ga1Pd2 is a thermodynamically stable, semiconducting ternary alloy composed of copper, gallium, and palladium used in catalytic research.
What is Cu1Ga1Pd2 used for?
What is the band gap of Cu1Ga1Pd2?
Is Cu1Ga1Pd2 a metal, semiconductor, or insulator?
Is Cu1Ga1Pd2 thermodynamically stable?
What is the crystal structure of Cu1Ga1Pd2?
What is the density of Cu1Ga1Pd2?
How many polymorphs of Cu1Ga1Pd2 are known?
What elements does Cu1Ga1Pd2 contain?
Where does the data for Cu1Ga1Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike many platinum-group alloys such as BaPd or LaRh which often exhibit metallic behavior, Cu1Ga1Pd2 is notable for its semiconducting electronic character. While siblings like As2Pt or IrSe2 are frequently studied for their specific chalcogenide or pnictide frameworks, this copper-gallium-palladium system offers a unique ternary architecture that expands the design space for selective catalytic surfaces.
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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