BiPd
BiPd is a thermodynamically stable, metallic intermetallic compound of bismuth and palladium used in catalytic research.
About BiPd
BiPd is a metallic intermetallic compound composed of bismuth and palladium. As a member of the platinum-group alloy catalyst family, it is recognized for its thermodynamic stability, sitting firmly on the convex hull, which indicates a robust structural configuration under standard conditions. Its electronic character is defined by its metallic nature, lacking a band gap, which facilitates efficient electron transport in catalytic environments. The compound is highly structurally diverse, with numerous reported configurations across multiple databases, making it a significant subject for materials scientists studying phase behavior and catalytic surface activity. Its utility stems from the synergistic combination of a heavy post-transition metal and a noble platinum-group element, which often results in unique electronic environments at the atomic scale. This makes BiPd a compelling candidate for applications requiring precise control over surface-mediated chemical reactions.
Key Properties
Cross-validated computational properties for BiPd, 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 BiPd. 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 BiPd, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -0.294 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -41.031 | 11.58 |
| — | — | 0.00 | 0.0030 | -0.322 | — |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0056 | -0.289 | — |
| P21 (No. 4) | monoclinic | 0.00 | 0.0084 | -41.022 | 11.93 |
| — | — | 0.00 | 0.0095 | -0.316 | — |
| Cmc21 (No. 36) | orthorhombic | 0.00 | 0.0107 | -41.020 | 11.91 |
| — | — | 0.00 | 0.0110 | -0.314 | — |
| — | — | 0.00 | 0.0123 | -0.313 | — |
| Cmc21 (No. 36) | orthorhombic | 0.00 | 0.0128 | -0.282 | — |
| Cmc21 (No. 36) | orthorhombic | 0.00 | 0.0128 | -0.282 | — |
| — | — | 0.00 | 0.0209 | -0.304 | — |
Applications
Where BiPd is used.
Frequently Asked Questions
Common questions about BiPd, answered from cross-validated data.
What is BiPd?
BiPd is a thermodynamically stable, metallic intermetallic compound of bismuth and palladium used in catalytic research.
What is BiPd used for?
What is the band gap of BiPd?
Is BiPd a metal, semiconductor, or insulator?
Is BiPd thermodynamically stable?
What is the crystal structure of BiPd?
What is the density of BiPd?
How many polymorphs of BiPd are known?
What elements does BiPd contain?
Where does the data for BiPd come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the class of platinum-group alloy catalysts, BiPd distinguishes itself through its high structural versatility compared to more rigid or simpler binary systems like BaPd or GeRu. While many members of this group, such as As2Pt or IrSe2, are frequently investigated for their specific coordination geometries, BiPd stands out as a thermodynamically stable phase that offers a distinct balance of metallic conductivity and chemical reactivity, providing a different catalytic pathway than the ruthenium or iridium-based counterparts.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- 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)
- 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)
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