GaPd
GaPd is a stable, metallic intermetallic compound used in catalytic applications that leverages the unique chemical properties of gallium and palladium.
About GaPd
GaPd is a metallic intermetallic compound composed of gallium and palladium. As a member of the platinum-group alloy catalyst class, it benefits from its position on the convex hull, indicating significant thermodynamic stability that makes it a reliable candidate for high-performance chemical processes. Its structural versatility is highlighted by a high number of reported configurations across major materials databases. The material is primarily investigated for its catalytic activity, where the synergistic electronic effects between the transition metal and the post-transition metal facilitate complex surface reactions. Its metallic nature ensures efficient charge transfer, which is a critical requirement for effective heterogeneous catalysis in industrial settings.
Key Properties
Cross-validated computational properties for GaPd, 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 GaPd. 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 GaPd, 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 | 0.0000 | -0.659 | — |
| P213 (No. 198) | cubic | 0.00 | 0.0000 | -17.864 | 9.92 |
| P213 (No. 198) | cubic | 0.00 | 0.0000 | -0.605 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0708 | -0.534 | — |
| — | — | 0.00 | 0.0842 | -0.575 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0859 | -17.778 | 9.63 |
| — | — | 0.00 | 0.0862 | -0.573 | — |
| — | — | 0.00 | 0.0875 | -0.572 | — |
| — | — | 0.00 | 0.1210 | -0.538 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.1223 | -17.742 | 9.43 |
| — | — | 0.00 | 0.3124 | -0.347 | — |
| — | — | 0.00 | 0.5775 | -0.082 | — |
Applications
Where GaPd is used.
Frequently Asked Questions
Common questions about GaPd, answered from cross-validated data.
What is GaPd?
GaPd is a stable, metallic intermetallic compound used in catalytic applications that leverages the unique chemical properties of gallium and palladium.
What is GaPd used for?
What is the band gap of GaPd?
Is GaPd a metal, semiconductor, or insulator?
Is GaPd thermodynamically stable?
What is the crystal structure of GaPd?
What is the density of GaPd?
How many polymorphs of GaPd are known?
What elements does GaPd contain?
Where does the data for GaPd come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, GaPd distinguishes itself through its robust thermodynamic stability compared to more complex or less stable members like As2Ir or GeRu. While compounds such as BaPd or LaRh often focus on specific electronic tuning, GaPd is frequently studied for its structural resilience and potential as a selective catalyst in hydrogenation and dehydrogenation processes, positioning it as a foundational material in the study of intermetallic surface chemistry.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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