MgAlNi2
This intermetallic compound is a complex alloy composed of magnesium, aluminum, and nickel. It is primarily studied for its structural properties and potential roles in advanced metallurgical research.
AlMgNi
Overview
Key Properties
Cross-validated computational properties for MgAlNi2, aggregated across 3 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.
0.01 eV
Range across DFT structures
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.
0.011 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MgAlNi2, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0109 | -4.646 | 5.59 |
| Immm (No. 71) | orthorhombic | 0.01 | 2.3099 | -2.347 | 0.36 |
| Fm-3m (No. 225) | Cubic | — | — | — | 5.46 |
| Fm-3m (No. 225) | Cubic | — | — | — | 5.67 |
| Fm-3m (No. 225) | Cubic | — | — | — | 5.59 |
| Fm-3m (No. 225) | — | — | — | — | — |
Uses
Applications
Where MgAlNi2 is used.
Materials science researchAlloy developmentMetallurgical studies
Reference
Frequently Asked Questions
Common questions about MgAlNi2, answered from cross-validated data.
What is MgAlNi2?
This intermetallic compound is a complex alloy composed of magnesium, aluminum, and nickel. It is primarily studied for its structural properties and potential roles in advanced metallurgical research.
More questions
What is MgAlNi2 used for?
MgAlNi2 is used in materials science research, alloy development, and metallurgical studies.
What is the band gap of MgAlNi2?
MgAlNi2 has a DFT-computed band gap of 0.01 eV across 6 reported structures.
Is MgAlNi2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is MgAlNi2 thermodynamically stable?
MgAlNi2 has a lowest energy above hull of 0.011 eV/atom (near hull (likely stable)).
What is the crystal structure of MgAlNi2?
The lowest-energy reported polymorph of MgAlNi2 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of MgAlNi2?
The computed density of the ground-state structure of MgAlNi2 is 5.59 g/cm³.
How many polymorphs of MgAlNi2 are known?
6 structures of MgAlNi2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does MgAlNi2 contain?
MgAlNi2 contains Al, Mg, and Ni (3 elements).
Where does the data for MgAlNi2 come from?
MgAlNi2 data is cross-referenced from materials_project, mpaloe, jarvis.
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).
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