Cu1Fe1Pd2
Cu1Fe1Pd2 is a semimetallic ternary alloy composed of copper, iron, and palladium that is studied for its potential catalytic properties.
About Cu1Fe1Pd2
Cu1Fe1Pd2 belongs to the family of platinum-group alloy catalysts, characterized by its near-zero-gap electronic structure. This semimetallic behavior suggests potential for unique charge transport and surface reactivity profiles in catalytic applications.
While this material is documented across numerous structural configurations, it sits above the thermodynamic hull, indicating it is likely unstable under standard conditions. Its study contributes to the broader understanding of metastable phases within complex transition metal alloy systems.
Key Properties
Cross-validated computational properties for Cu1Fe1Pd2, 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 Cu1Fe1Pd2, 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 | 0.03 | 2.3581 | -3.472 | 0.68 |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
Applications
Where Cu1Fe1Pd2 is used.
Frequently Asked Questions
Common questions about Cu1Fe1Pd2, answered from cross-validated data.
What is Cu1Fe1Pd2?
Cu1Fe1Pd2 is a semimetallic ternary alloy composed of copper, iron, and palladium that is studied for its potential catalytic properties.
What is Cu1Fe1Pd2 used for?
What is the band gap of Cu1Fe1Pd2?
Is Cu1Fe1Pd2 a metal, semiconductor, or insulator?
Is Cu1Fe1Pd2 thermodynamically stable?
What is the crystal structure of Cu1Fe1Pd2?
What is the density of Cu1Fe1Pd2?
How many polymorphs of Cu1Fe1Pd2 are known?
What elements does Cu1Fe1Pd2 contain?
Where does the data for Cu1Fe1Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more stable members of the platinum-group alloy class such as GeRu or IrSe2, Cu1Fe1Pd2 is identified as a metastable phase. While compounds like BaPd or LaRh often exhibit well-defined ground-state structures, this ternary alloy represents a more complex, high-energy configuration that highlights the diverse structural landscape of palladium-based 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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