Al4Ni4V4
Al4Ni4V4 is a metallic intermetallic compound classified within the Heusler alloy family that exists as a metastable phase.
About Al4Ni4V4
Al4Ni4V4 is a complex intermetallic compound belonging to the broader family of Heusler alloys. Characterized by its metallic electronic nature, this material lacks a band gap and exhibits the distinct structural arrangements typical of its class, which are defined by their specific site-occupancy patterns and periodic lattice symmetries. Despite its structural complexity, it remains a subject of interest for researchers mapping the vast compositional space of ternary and quaternary intermetallics. Its existence as a metastable phase, positioned above the thermodynamic hull, highlights the intricate balance of atomic interactions required to stabilize such configurations. While it is not a primary industrial commodity, its presence in multiple structural databases underscores its relevance in fundamental materials science research, particularly in studies concerning phase stability and the formation of ordered intermetallic lattices.
Key Properties
Cross-validated computational properties for Al4Ni4V4, 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.
Reported Structures
Lowest-energy structures reported for Al4Ni4V4, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.00 | 0.8146 | -10.578 | 4.90 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pmmn (No. 59) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pmmn (No. 59) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Al4Ni4V4 is used.
Frequently Asked Questions
Common questions about Al4Ni4V4, answered from cross-validated data.
What is Al4Ni4V4?
Al4Ni4V4 is a metallic intermetallic compound classified within the Heusler alloy family that exists as a metastable phase.
What is Al4Ni4V4 used for?
What is the band gap of Al4Ni4V4?
Is Al4Ni4V4 a metal, semiconductor, or insulator?
Is Al4Ni4V4 thermodynamically stable?
What is the crystal structure of Al4Ni4V4?
What is the density of Al4Ni4V4?
How many polymorphs of Al4Ni4V4 are known?
What elements does Al4Ni4V4 contain?
Where does the data for Al4Ni4V4 come from?
How It Compares
Within the heusler alloys class.
Within the diverse landscape of Heusler-related alloys, Al4Ni4V4 occupies a distinct position compared to more stable or technologically established members like NiSnTi or Fe2Sb2V2. While many members of this class are investigated for their potential in thermoelectric or magnetic applications due to their optimized electronic structures, Al4Ni4V4 is notable for its metastability, contrasting with the more robust and thermodynamically favored configurations found in other ternary or quaternary systems.
Related Compounds
Other Heusler Alloys in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- 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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