Cu3Pd2
This intermetallic compound is a crystalline alloy composed of copper and palladium. It is primarily studied for its unique structural properties and its role in catalytic processes and materials science research.
Overview
Key Properties
Cross-validated computational properties for Cu3Pd2, aggregated across 5 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.
Metallic / not reported
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.
0.008 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
8
5 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cu3Pd2, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0078 | -15.798 | 10.39 |
| P-3m1 (No. 164) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 10.11 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 10.65 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 10.40 |
| P-3m1 (No. 164) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
Uses
Applications
Where Cu3Pd2 is used.
Catalysis researchMaterials science studiesAlloy development
Reference
Frequently Asked Questions
Common questions about Cu3Pd2, answered from cross-validated data.
What is Cu3Pd2?
This intermetallic compound is a crystalline alloy composed of copper and palladium. It is primarily studied for its unique structural properties and its role in catalytic processes and materials science research.
More questions
What is Cu3Pd2 used for?
Cu3Pd2 is used in catalysis research, materials science studies, and alloy development.
What is the band gap of Cu3Pd2?
Cu3Pd2 is computed to be metallic (no band gap) in the reported DFT structures.
Is Cu3Pd2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Cu3Pd2 thermodynamically stable?
Cu3Pd2 has a lowest energy above hull of 0.008 eV/atom (near hull (likely stable)).
What is the crystal structure of Cu3Pd2?
The lowest-energy reported polymorph of Cu3Pd2 is tetragonal symmetry, space group P4/mmm (No. 123).
What is the density of Cu3Pd2?
The computed density of the ground-state structure of Cu3Pd2 is 10.39 g/cm³.
How many polymorphs of Cu3Pd2 are known?
8 structures of Cu3Pd2 are reported across 5 databases, spanning 3 distinct space groups.
What elements does Cu3Pd2 contain?
Cu3Pd2 contains Cu and Pd (2 elements).
Where does the data for Cu3Pd2 come from?
Cu3Pd2 data is cross-referenced from materials_project, nomad, jarvis, mpaloe, aflow.
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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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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