InPd
InPd is a metallic binary alloy composed of indium and palladium that serves as a candidate material for catalytic applications.
About InPd
InPd is a metallic intermetallic compound belonging to the class of platinum-group alloy catalysts. Its electronic structure is characterized by metallic conductivity, reflecting the strong hybridization between indium and palladium states within the crystal lattice.
As a near-hull material, InPd is considered highly synthesizable and stable under standard conditions. Its structural versatility is evidenced by a significant number of reported configurations, making it a subject of interest for researchers exploring tunable catalytic surfaces.
Key Properties
Cross-validated computational properties for InPd, 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 InPd. 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 InPd, 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 | -0.521 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -0.462 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0090 | -0.453 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0118 | -23.319 | 10.49 |
| — | — | 0.00 | 0.0135 | -0.507 | — |
| — | — | 0.00 | 0.0200 | -0.501 | — |
| — | — | 0.00 | 0.1056 | -0.415 | — |
| — | — | 0.00 | 0.1337 | -0.387 | — |
| — | — | 0.00 | 0.2413 | -0.280 | — |
| — | — | 0.00 | 0.5875 | 0.067 | — |
| P21/m (No. 11) | monoclinic | — | — | — | 4.91 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 5.87 |
Applications
Where InPd is used.
Frequently Asked Questions
Common questions about InPd, answered from cross-validated data.
What is InPd?
InPd is a metallic binary alloy composed of indium and palladium that serves as a candidate material for catalytic applications.
What is InPd used for?
What is the band gap of InPd?
Is InPd a metal, semiconductor, or insulator?
Is InPd thermodynamically stable?
What is the crystal structure of InPd?
How many polymorphs of InPd are known?
What elements does InPd contain?
Where does the data for InPd come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, InPd occupies a distinct niche compared to compounds like BaPd or GeRu. While many members of this class exhibit complex stoichiometry, InPd maintains a relatively simple binary arrangement that facilitates a clearer understanding of its catalytic surface interactions and electronic properties.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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