AlNi
Nickel aluminide · NiAl
AlNi is a stable, metallic intermetallic compound widely utilized for its structural durability and thermal properties in high-temperature environments.
About Nickel aluminide
AlNi is a robust intermetallic compound formed from aluminum and nickel. As a thermodynamically stable phase, it maintains its structural integrity under demanding conditions, making it a cornerstone material in metallurgy. Its metallic electronic character facilitates excellent thermal and electrical conductivity, which is vital for its performance in industrial settings. The compound is widely recognized for its high data density, reflecting its extensive characterization across multiple materials databases. This wealth of structural information underscores its reliability and importance in advanced materials science research. Its ability to withstand extreme environments ensures its continued relevance in high-performance engineering applications.
Key Properties
Cross-validated computational properties for Nickel aluminide, aggregated across 6 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 AlNi. 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 AlNi, 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 | -0.669 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -10.042 | 6.08 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -0.663 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0004 | -0.663 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0004 | -0.663 | — |
| — | — | 0.00 | 0.0008 | -0.669 | — |
| — | — | 0.00 | 0.0009 | -0.669 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0268 | -10.015 | 6.06 |
| — | — | 0.00 | 0.0332 | -0.636 | — |
| — | — | 0.00 | 0.1793 | -0.490 | — |
| — | — | 0.00 | 0.1943 | -0.475 | — |
| — | — | 0.00 | 0.1982 | -0.471 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting AlNi.
Applications
Where Nickel aluminide is used.
Patent Landscape
1 patent reference AlNi or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 5556486 | Composite material having an intermetallic matrix of AlNi reinforced by silicon carbide particles | — | — |
Frequently Asked Questions
Common questions about Nickel aluminide, answered from cross-validated data.
What is AlNi?
AlNi is a stable, metallic intermetallic compound widely utilized for its structural durability and thermal properties in high-temperature environments.
What is AlNi used for?
What is the band gap of AlNi?
Is AlNi a metal, semiconductor, or insulator?
Is AlNi thermodynamically stable?
What is the crystal structure of AlNi?
What is the density of AlNi?
How many polymorphs of AlNi are known?
How is AlNi synthesized?
What elements does AlNi contain?
Where does the data for AlNi come from?
How It Compares
As a primary intermetallic phase, AlNi serves as a fundamental benchmark for nickel-aluminum systems, representing a highly stable and well-documented structure that defines the baseline for metallic performance in this binary composition space.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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