NbPd
NbPd is a metallic binary alloy of niobium and palladium frequently studied for its complex structural properties within the field of platinum-group catalysts.
About NbPd
NbPd is a metallic intermetallic compound composed of niobium and palladium. As a member of the platinum-group alloy catalyst class, it represents a complex structural system that has been extensively documented across multiple crystallographic databases, reflecting significant interest in its atomic arrangement and potential catalytic behavior. While its thermodynamic status suggests it sits above the stability hull, the high volume of reported structures indicates that NbPd remains a subject of intense investigation in materials science. Its metallic nature is a defining characteristic that influences its electronic interactions and potential utility in surface-science applications.
Key Properties
Cross-validated computational properties for NbPd, 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 NbPd. 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 NbPd, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.2028 | -23.968 | 9.85 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 8.51 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 10.88 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.92 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 9.61 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 9.63 |
| P21/m (No. 11) | Monoclinic | — | — | — | 11.84 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 6.37 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 9.54 |
| C2/c (No. 15) | Monoclinic | — | — | — | 10.41 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 7.79 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 8.19 |
Applications
Where NbPd is used.
Frequently Asked Questions
Common questions about NbPd, answered from cross-validated data.
What is NbPd?
NbPd is a metallic binary alloy of niobium and palladium frequently studied for its complex structural properties within the field of platinum-group catalysts.
What is NbPd used for?
What is the band gap of NbPd?
Is NbPd a metal, semiconductor, or insulator?
Is NbPd thermodynamically stable?
What is the crystal structure of NbPd?
What is the density of NbPd?
How many polymorphs of NbPd are known?
What elements does NbPd contain?
Where does the data for NbPd come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, NbPd occupies a distinct position compared to more stable, naturally occurring phases like GeRu or P3Ru. Unlike its siblings that often exhibit greater thermodynamic robustness, NbPd is characterized by its structural diversity and the challenges associated with its formation, making it a unique case study in the synthesis and stability of binary transition metal alloys.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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