Cu1Ni1Pd2
Cu1Ni1Pd2 is a semimetallic ternary alloy composed of copper, nickel, and palladium, primarily investigated for its potential catalytic properties.
About Cu1Ni1Pd2
Cu1Ni1Pd2 is a complex ternary alloy belonging to the platinum-group catalyst family. Characterized by its near-zero-gap electronic structure, this material exhibits semimetallic behavior that is often sought after for specialized surface-mediated chemical reactions. Its composition of copper, nickel, and palladium aims to leverage synergistic electronic effects between these transition metals.
While the material is identified as being above the thermodynamic hull, suggesting potential instability under standard conditions, it remains a subject of interest in structural databases. Its existence across multiple reported configurations highlights the complexity of phase formation in ternary platinum-group systems, where atomic arrangement significantly dictates catalytic efficacy.
Key Properties
Cross-validated computational properties for Cu1Ni1Pd2, 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 Cu1Ni1Pd2, 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 | 2.4377 | -14.811 | 0.95 |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Cu1Ni1Pd2 is used.
Frequently Asked Questions
Common questions about Cu1Ni1Pd2, answered from cross-validated data.
What is Cu1Ni1Pd2?
Cu1Ni1Pd2 is a semimetallic ternary alloy composed of copper, nickel, and palladium, primarily investigated for its potential catalytic properties.
What is Cu1Ni1Pd2 used for?
What is the band gap of Cu1Ni1Pd2?
Is Cu1Ni1Pd2 a metal, semiconductor, or insulator?
Is Cu1Ni1Pd2 thermodynamically stable?
What is the crystal structure of Cu1Ni1Pd2?
What is the density of Cu1Ni1Pd2?
How many polymorphs of Cu1Ni1Pd2 are known?
What elements does Cu1Ni1Pd2 contain?
Where does the data for Cu1Ni1Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader class of platinum-group alloys, Cu1Ni1Pd2 occupies a distinct niche compared to more stable, binary intermetallics like BaPd or GeRu. Unlike these more robust counterparts, Cu1Ni1Pd2 represents a more metastable configuration, requiring careful synthesis to manage the energetic trade-offs inherent in its specific atomic ordering.
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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