CdCuPd2
CdCuPd2 is a semiconducting ternary alloy composed of cadmium, copper, and palladium that is studied for its potential as a specialized catalyst.
About CdCuPd2
CdCuPd2 is a specialized ternary alloy belonging to the platinum-group catalyst family. Characterized by its semiconducting electronic behavior, this material represents a complex arrangement of cadmium, copper, and palladium atoms that has been documented across multiple structural databases. Its unique composition makes it a subject of interest for researchers investigating the electronic properties of transition metal alloys. Because the compound resides above the thermodynamic hull, it is considered a metastable phase. This instability suggests that its synthesis requires precise control over processing conditions, yet such metastable materials often provide unique catalytic surfaces that differ significantly from their more stable, bulk counterparts.
Key Properties
Cross-validated computational properties for CdCuPd2, aggregated across 4 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CdCuPd2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for CdCuPd2, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0228 | -0.251 | — |
| — | — | 0.00 | 0.0975 | -0.177 | — |
| Immm (No. 71) | orthorhombic | 0.25 | 2.0069 | -2.105 | 0.74 |
| Immm (No. 71) | orthorhombic | 0.16 | 2.2200 | 1.957 | — |
| Immm (No. 71) | orthorhombic | 0.15 | 2.2204 | 1.957 | — |
| Fm-3m (No. 225) | cubic | — | — | — | — |
Applications
Where CdCuPd2 is used.
Frequently Asked Questions
Common questions about CdCuPd2, answered from cross-validated data.
What is CdCuPd2?
CdCuPd2 is a semiconducting ternary alloy composed of cadmium, copper, and palladium that is studied for its potential as a specialized catalyst.
What is CdCuPd2 used for?
What is the band gap of CdCuPd2?
Is CdCuPd2 a metal, semiconductor, or insulator?
Is CdCuPd2 thermodynamically stable?
What is the crystal structure of CdCuPd2?
What is the density of CdCuPd2?
How many polymorphs of CdCuPd2 are known?
What elements does CdCuPd2 contain?
Where does the data for CdCuPd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader class of platinum-group alloys, CdCuPd2 occupies a distinct niche compared to more stable, binary intermetallics like BaPd or GeRu. While many members of this class are characterized by high thermodynamic stability, CdCuPd2 is notable for its metastable nature, which potentially offers enhanced reactivity for specific chemical transformations compared to the more conventional, robust members of the group.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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