AlNi3
Nickel aluminide · Ni3Al
Nickel aluminide is an intermetallic compound known for its exceptional strength and stability at elevated temperatures. It is widely utilized in high-performance engineering environments where materials must maintain structural integrity under extreme thermal stress.
Key Properties
Cross-validated computational properties for Nickel aluminide, 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.
Reported Structures
Lowest-energy structures reported for AlNi3, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -11.096 | 7.71 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0212 | -11.075 | 7.68 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0721 | -11.024 | 7.66 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.72 |
| P63/mmc (No. 194) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 7.49 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 7.47 |
| Pm-3m (No. 221) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 7.86 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.06 |
Applications
Where Nickel aluminide is used.
Frequently Asked Questions
Common questions about Nickel aluminide, answered from cross-validated data.
What is AlNi3?
Nickel aluminide is an intermetallic compound known for its exceptional strength and stability at elevated temperatures. It is widely utilized in high-performance engineering environments where materials must maintain structural integrity under extreme thermal stress.
What is AlNi3 used for?
What is the band gap of AlNi3?
Is AlNi3 a metal, semiconductor, or insulator?
Is AlNi3 thermodynamically stable?
What is the crystal structure of AlNi3?
What is the density of AlNi3?
How many polymorphs of AlNi3 are known?
What elements does AlNi3 contain?
Where does the data for AlNi3 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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