NaPt
NaPt is a metallic intermetallic alloy composed of sodium and platinum that exhibits structural complexity despite its inherent thermodynamic metastability.
About NaPt
NaPt is a metallic intermetallic compound composed of sodium and platinum. As a member of the platinum-group alloy class, it represents a specialized combination of an alkali metal and a noble metal, characterized by its distinct electronic structure and metallic conductivity. Its existence as a distinct phase is supported by a significant volume of structural data across multiple databases, reflecting its interest in fundamental materials research.
Despite its structural variety, the compound is noted for being thermodynamically metastable. Its role in materials science is largely defined by the interplay between the highly reactive sodium and the catalytic platinum, positioning it as a subject of study for understanding phase stability and potential catalytic behavior in complex alloy systems.
Key Properties
Cross-validated computational properties for NaPt, 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 NaPt. 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 NaPt, 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 | -0.331 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0388 | -0.275 | — |
| — | — | 0.00 | 0.0901 | -0.241 | — |
| — | — | 0.00 | 0.0918 | -0.239 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1037 | -27.768 | 10.52 |
| — | — | 0.00 | 0.3060 | -0.025 | — |
| — | — | 0.00 | 0.4614 | 0.131 | — |
| — | — | 0.00 | 1.0355 | 0.705 | — |
| — | — | 0.00 | 1.5169 | 1.186 | — |
| P1 (No. 1) | triclinic | — | — | — | 3.82 |
| P-1 (No. 2) | triclinic | — | — | — | 4.63 |
| P1 (No. 1) | triclinic | — | — | — | 7.95 |
Applications
Where NaPt is used.
Frequently Asked Questions
Common questions about NaPt, answered from cross-validated data.
What is NaPt?
NaPt is a metallic intermetallic alloy composed of sodium and platinum that exhibits structural complexity despite its inherent thermodynamic metastability.
What is NaPt used for?
What is the band gap of NaPt?
Is NaPt a metal, semiconductor, or insulator?
Is NaPt thermodynamically stable?
What is the crystal structure of NaPt?
How many polymorphs of NaPt are known?
What elements does NaPt contain?
Where does the data for NaPt come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more stable or commercially established platinum-group alloys such as As2Pt or Ga2Ru, NaPt is characterized by its position above the thermodynamic hull, indicating a higher degree of metastability. While siblings like As2Pt are often investigated for their robust structural properties, NaPt serves as a critical data point in the study of alkali-noble metal interactions, highlighting the diverse range of stability and bonding environments present within the platinum-group alloy family.
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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