NiPt
NiPt is a stable, metallic alloy of nickel and platinum used as a catalyst in chemical and materials engineering applications.
About NiPt
NiPt is a metallic alloy composed of nickel and platinum, belonging to the class of platinum-group alloy catalysts. Its position on the convex hull indicates that it is a thermodynamically stable phase, making it a robust candidate for research into catalytic performance and structural durability. The material is characterized by its metallic electronic nature, lacking a band gap, which facilitates efficient electron transfer in various chemical environments. Given its extensive documentation across multiple structural databases, it serves as a well-characterized model system for understanding bimetallic interactions. It is primarily utilized in advanced catalytic applications where the synergistic effects of nickel and platinum can enhance reaction pathways and material longevity.
Key Properties
Cross-validated computational properties for NiPt, 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 NiPt. 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 NiPt, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0000 | -6.021 | 16.04 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0400 | -5.981 | 15.70 |
| No. 0 | unknown | — | — | — | 7.99 |
| P-1 (No. 2) | Triclinic | — | — | — | 14.14 |
| P21/c (No. 14) | Monoclinic | — | — | — | 8.18 |
| P21/c (No. 14) | Monoclinic | — | — | — | 10.20 |
| P21 (No. 4) | Monoclinic | — | — | — | 7.82 |
| P21 (No. 4) | Monoclinic | — | — | — | 10.22 |
| P21 (No. 4) | Monoclinic | — | — | — | 9.93 |
| No. 0 | unknown | — | — | — | 9.31 |
| P4/mmm (No. 123) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 7.77 |
Synthesis Routes
Literature-extracted synthesis procedures targeting NiPt.
Applications
Where NiPt is used.
Frequently Asked Questions
Common questions about NiPt, answered from cross-validated data.
What is NiPt?
NiPt is a stable, metallic alloy of nickel and platinum used as a catalyst in chemical and materials engineering applications.
What is NiPt used for?
What is the band gap of NiPt?
Is NiPt a metal, semiconductor, or insulator?
Is NiPt thermodynamically stable?
What is the crystal structure of NiPt?
What is the density of NiPt?
How many polymorphs of NiPt are known?
How is NiPt synthesized?
What elements does NiPt contain?
Where does the data for NiPt come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloy catalysts, NiPt is distinguished by its high degree of structural characterization compared to more exotic members like As2Ir or Ga2Ru. While compounds such as P3Ru often focus on specific coordination geometries, NiPt is recognized for its stability and simple metallic bonding, providing a foundational reference point for evaluating the catalytic activity of binary precious metal systems.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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