CdPd
CdPd is a stable, metallic intermetallic compound composed of cadmium and palladium that functions as a catalyst in chemical synthesis.
About CdPd
CdPd is a metallic intermetallic compound belonging to the class of platinum-group alloy catalysts. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of cadmium and palladium atoms that maintains integrity under various conditions.
This material is of significant interest in catalytic science due to its specific electronic configuration and high structural versatility. With a substantial number of reported structures across major databases, it serves as a foundational subject for understanding how noble metal alloys can be tuned for surface-mediated chemical reactions.
Key Properties
Cross-validated computational properties for CdPd, 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.
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 CdPd. 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 CdPd, 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 | 0.0000 | -3.461 | 10.66 |
| — | — | 0.00 | 0.0000 | -0.419 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0000 | -0.406 | — |
| — | — | 0.00 | 0.0074 | -0.412 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1249 | -0.281 | — |
| — | — | 0.00 | 0.1339 | -0.285 | — |
| — | — | 0.00 | 0.1372 | -0.282 | — |
| — | — | 0.00 | 0.3311 | -0.088 | — |
| — | — | 0.00 | 0.8656 | 0.447 | — |
| R3m (No. 160) | trigonal | — | — | — | 8.29 |
| P4/mmm (No. 123) | tetragonal | — | — | — | 10.97 |
| P4/mmm (No. 123) | tetragonal | — | — | — | 10.65 |
Applications
Where CdPd is used.
Frequently Asked Questions
Common questions about CdPd, answered from cross-validated data.
What is CdPd?
CdPd is a stable, metallic intermetallic compound composed of cadmium and palladium that functions as a catalyst in chemical synthesis.
What is CdPd used for?
What is the band gap of CdPd?
Is CdPd a metal, semiconductor, or insulator?
Is CdPd thermodynamically stable?
What is the crystal structure of CdPd?
What is the density of CdPd?
How many polymorphs of CdPd are known?
What elements does CdPd contain?
Where does the data for CdPd come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloy catalysts, CdPd distinguishes itself through its high thermodynamic stability compared to more complex or metastable phases like Ga2Ru or IrSe2. While members such as BaPd share the metallic character inherent to the group, CdPd is particularly notable for its structural diversity, appearing in a wide array of configurations that provide researchers with a broad landscape for studying atomic ordering and catalytic surface activity.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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