Al4Ni4V4
This compound is a complex intermetallic material composed of aluminum, nickel, and vanadium. It is primarily studied for its structural properties and potential use in high-performance alloy development.
Overview
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.
Metallic / not reported
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.
0.815 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.
Above hull
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
79
4 databases, 9 space groups
Crystallography
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) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pmmn (No. 59) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pmmn (No. 59) | — | — | — | — | — |
| — | — | — | — | — | 4.05 |
| Pnma (No. 62) | — | — | — | — | — |
Uses
Applications
Where Al4Ni4V4 is used.
Materials science researchAlloy developmentMetallurgical studies
Reference
Frequently Asked Questions
Common questions about Al4Ni4V4, answered from cross-validated data.
What is Al4Ni4V4?
This compound is a complex intermetallic material composed of aluminum, nickel, and vanadium. It is primarily studied for its structural properties and potential use in high-performance alloy development.
More questions
What is Al4Ni4V4 used for?
Al4Ni4V4 is used in materials science research, alloy development, and metallurgical studies.
What is the band gap of Al4Ni4V4?
Al4Ni4V4 is computed to be metallic (no band gap) in the reported DFT structures.
Is Al4Ni4V4 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Al4Ni4V4 thermodynamically stable?
Al4Ni4V4 has a lowest energy above hull of 0.815 eV/atom (above hull).
What is the crystal structure of Al4Ni4V4?
The lowest-energy reported polymorph of Al4Ni4V4 is cubic symmetry, space group F-43m (No. 216).
What is the density of Al4Ni4V4?
The computed density of the ground-state structure of Al4Ni4V4 is 4.90 g/cm³.
How many polymorphs of Al4Ni4V4 are known?
79 structures of Al4Ni4V4 are reported across 4 databases, spanning 9 distinct space groups.
What elements does Al4Ni4V4 contain?
Al4Ni4V4 contains Al, Ni, and V (3 elements).
Where does the data for Al4Ni4V4 come from?
Al4Ni4V4 data is cross-referenced from materials_project, aflow, omat24, nomad.
Explore
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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