NbPt
NbPt is a thermodynamically stable metallic alloy composed of niobium and platinum that is frequently studied for its structural properties.
About NbPt
NbPt is a metallic platinum-group alloy that occupies a stable position on the convex hull, indicating significant thermodynamic robustness. Its structural versatility is highlighted by a high volume of reported configurations across major materials databases, reflecting its importance in fundamental alloy research.
As a member of the platinum-group alloy class, it leverages the catalytic potential of noble metals combined with transition metals. Its metallic nature and stability make it a subject of interest for exploring surface reactivity and potential applications in specialized chemical processing.
Key Properties
Cross-validated computational properties for NbPt, 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 NbPt. 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 NbPt, 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. |
|---|---|---|---|---|---|
| Pmma (No. 51) | orthorhombic | 0.00 | 0.0000 | -38.775 | 14.57 |
| Pmma (No. 51) | orthorhombic | 0.00 | 0.0000 | -0.628 | — |
| — | — | 0.00 | 0.0000 | -0.640 | — |
| — | — | 0.00 | 0.1894 | -0.450 | — |
| — | — | 0.00 | 0.2790 | -0.361 | — |
| — | — | 0.00 | 0.3028 | -0.337 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.3266 | -0.301 | — |
| — | — | 0.00 | 0.3623 | -0.278 | — |
| — | — | 0.00 | 0.6406 | 0.001 | — |
| — | — | 0.00 | 1.1598 | 0.520 | — |
| P1 (No. 1) | triclinic | — | — | — | 13.00 |
| P-1 (No. 2) | triclinic | — | — | — | 12.71 |
Applications
Where NbPt is used.
Frequently Asked Questions
Common questions about NbPt, answered from cross-validated data.
What is NbPt?
NbPt is a thermodynamically stable metallic alloy composed of niobium and platinum that is frequently studied for its structural properties.
What is NbPt used for?
What is the band gap of NbPt?
Is NbPt a metal, semiconductor, or insulator?
Is NbPt thermodynamically stable?
What is the crystal structure of NbPt?
What is the density of NbPt?
How many polymorphs of NbPt are known?
What elements does NbPt contain?
Where does the data for NbPt come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more complex binary systems like As2Pt or Ga2Ru, NbPt represents a simpler intermetallic stoichiometry that maintains high thermodynamic stability. While siblings like LaRh or BaPd exhibit diverse bonding environments, NbPt is distinguished by its structural prevalence and the reliable phase behavior characteristic of its specific niobium-platinum composition.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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