FePd
FePd is a metallic iron-palladium alloy used in the development of advanced catalytic materials.
About FePd
FePd is a metallic alloy composed of iron and palladium, belonging to the class of platinum-group alloy catalysts. Its electronic structure is characterized by a lack of a band gap, consistent with its metallic nature, which facilitates efficient electron transport in catalytic processes.
This compound is considered a near-hull material, indicating it possesses the thermodynamic stability required for successful synthesis. With numerous reported structures across multiple databases, it remains a subject of significant interest for researchers exploring high-performance catalytic materials.
Key Properties
Cross-validated computational properties for FePd, 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 FePd. 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 FePd, 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 | 0.0085 | -6.889 | 9.81 |
| — | — | 0.00 | 0.0134 | -0.066 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0319 | -0.023 | — |
| — | — | 0.00 | 0.0431 | -0.036 | — |
| — | — | 0.00 | 0.0904 | 0.011 | — |
| — | — | 0.00 | 0.0981 | 0.019 | — |
| — | — | 0.00 | 0.1297 | 0.050 | — |
| — | — | 0.00 | 0.1580 | 0.078 | — |
| — | — | 0.00 | 0.5253 | 0.446 | — |
| — | — | 0.00 | 0.8262 | 0.747 | — |
| — | — | 0.00 | 1.2079 | 1.128 | — |
| P212121 (No. 19) | orthorhombic | — | — | — | 7.68 |
Applications
Where FePd is used.
Frequently Asked Questions
Common questions about FePd, answered from cross-validated data.
What is FePd?
FePd is a metallic iron-palladium alloy used in the development of advanced catalytic materials.
What is FePd used for?
What is the band gap of FePd?
Is FePd a metal, semiconductor, or insulator?
Is FePd thermodynamically stable?
What is the crystal structure of FePd?
What is the density of FePd?
How many polymorphs of FePd are known?
What elements does FePd contain?
Where does the data for FePd come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloy catalysts, FePd occupies a distinct niche compared to siblings like LaRh or GeRu. While many members of this class exhibit complex structural arrangements, FePd is notable for its relative structural simplicity and its proximity to the thermodynamic hull, making it a more accessible candidate for experimental study than some of the more exotic, less stable intermetallic phases.
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.
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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