GePd
GePd is a stable, metallic intermetallic compound composed of germanium and palladium that is primarily utilized in the study of catalytic materials.
About GePd
GePd is a distinct intermetallic compound within the platinum-group alloy catalyst family. As a thermodynamically stable phase located on the convex hull, it demonstrates robust structural integrity, supported by a significant body of reported experimental and computational structural data.
Characterized by its metallic electronic nature, GePd serves as a key material for exploring catalytic surface chemistry. Its ability to maintain stability while providing unique atomic arrangements makes it a valuable subject for investigating reaction mechanisms in industrial chemical processes.
Key Properties
Cross-validated computational properties for GePd, 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 GePd. 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 GePd, 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 | -0.460 | — |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -5.363 | 9.20 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -0.414 | — |
| — | — | 0.00 | 0.0993 | -0.361 | — |
| — | — | 0.00 | 0.1706 | -0.290 | — |
| — | — | 0.00 | 0.1713 | -0.289 | — |
| — | — | 0.00 | 0.2003 | -0.260 | — |
| — | — | 0.00 | 0.2028 | -0.257 | — |
| — | — | 0.00 | 0.3311 | -0.129 | — |
| — | — | 0.00 | 0.4413 | -0.019 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 9.04 |
| P1 (No. 1) | triclinic | — | — | — | 7.60 |
Applications
Where GePd is used.
Frequently Asked Questions
Common questions about GePd, answered from cross-validated data.
What is GePd?
GePd is a stable, metallic intermetallic compound composed of germanium and palladium that is primarily utilized in the study of catalytic materials.
What is GePd used for?
What is the band gap of GePd?
Is GePd a metal, semiconductor, or insulator?
Is GePd thermodynamically stable?
What is the crystal structure of GePd?
What is the density of GePd?
How many polymorphs of GePd are known?
What elements does GePd contain?
Where does the data for GePd come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader class of platinum-group alloys, GePd distinguishes itself through its specific stoichiometry and high thermodynamic stability compared to more complex or less stable members like As2Ir or Ga2Ru. While compounds such as GeRu share similar group-14 constituents, GePd leverages the unique electronic contributions of palladium to offer a different catalytic profile for surface-sensitive applications.
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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