AlV3
AlV3 is a stable, metallic intermetallic compound recognized for its role within the A15 class of superconducting materials.
About AlV3
AlV3 is a metallic compound belonging to the A15 family of superconductors. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that has been extensively characterized across multiple material databases.
Its metallic nature and structural stability make it a subject of interest for researchers investigating the interplay between crystal symmetry and superconducting behavior. The compound is primarily utilized in fundamental studies aimed at understanding the electronic properties of transition metal intermetallics.
Key Properties
Cross-validated computational properties for AlV3, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AlV3. 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 AlV3, 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-3n (No. 223) | cubic | 0.00 | 0.0000 | -0.127 | — |
| Pm-3n (No. 223) | cubic | 0.00 | 0.0000 | -12.419 | 5.44 |
| — | — | 0.00 | 0.0109 | -0.131 | — |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0425 | -12.377 | 5.33 |
| — | — | 0.00 | 0.0553 | -0.087 | — |
| — | — | 0.00 | 0.0834 | -0.059 | — |
| — | — | 0.00 | 0.0881 | -0.054 | — |
| — | — | 0.00 | 0.0977 | -0.044 | — |
| — | — | 0.00 | 0.1886 | 0.046 | — |
| — | — | 0.00 | 0.1976 | 0.055 | — |
| Cm (No. 8) | monoclinic | — | — | — | 4.21 |
| P4/mmm (No. 123) | tetragonal | — | — | — | 5.08 |
Applications
Where AlV3 is used.
Frequently Asked Questions
Common questions about AlV3, answered from cross-validated data.
What is AlV3?
AlV3 is a stable, metallic intermetallic compound recognized for its role within the A15 class of superconducting materials.
What is AlV3 used for?
What is the band gap of AlV3?
Is AlV3 a metal, semiconductor, or insulator?
Is AlV3 thermodynamically stable?
What is the crystal structure of AlV3?
How many polymorphs of AlV3 are known?
What elements does AlV3 contain?
Where does the data for AlV3 come from?
How It Compares
Within the a15 superconductors class.
Within the diverse A15 and related intermetallic class, AlV3 stands out for its thermodynamic stability compared to more complex or metastable siblings like Nb3Si or Nb5Si3. While other members such as AlV or AlV2 exhibit different stoichiometry and electronic configurations, AlV3 maintains a distinct structural identity that contributes to the broader understanding of how aluminum-vanadium systems behave under varying compositional ratios.
Related Compounds
Other A15 Superconductors in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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