AlV
AlV is a thermodynamically stable metallic intermetallic compound used as a reference material in the study of A15-type structures.
About AlV
AlV is a metallic compound that occupies a stable position on the convex hull, indicating significant thermodynamic robustness. As a member of the A15-related materials, it serves as a critical subject for understanding the electronic properties and structural phase stability of transition metal-aluminide systems.
Its importance lies in its role as a representative of complex intermetallic bonding patterns. With a high volume of reported structures across major databases, this compound provides researchers with a foundational model for investigating the interplay between atomic arrangement and metallic conductivity in binary systems.
Key Properties
Cross-validated computational properties for AlV, 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 AlV. 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 AlV, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0000 | -10.697 | 4.61 |
| — | — | 0.00 | 0.0030 | -0.224 | — |
| — | — | 0.00 | 0.0211 | -0.206 | — |
| — | — | 0.00 | 0.0287 | -0.198 | — |
| — | — | 0.00 | 0.0883 | -0.138 | — |
| — | — | 0.00 | 0.1907 | -0.036 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.2208 | 0.015 | — |
| — | — | 0.00 | 0.2240 | -0.003 | — |
| — | — | 0.00 | 0.2252 | -0.002 | — |
| — | — | 0.00 | 0.2255 | -0.001 | — |
| — | — | 0.00 | 0.2315 | 0.005 | — |
| — | — | 0.00 | 0.2480 | 0.021 | — |
Applications
Where AlV is used.
Frequently Asked Questions
Common questions about AlV, answered from cross-validated data.
What is AlV?
AlV is a thermodynamically stable metallic intermetallic compound used as a reference material in the study of A15-type structures.
What is AlV used for?
What is the band gap of AlV?
Is AlV a metal, semiconductor, or insulator?
Is AlV thermodynamically stable?
What is the crystal structure of AlV?
What is the density of AlV?
How many polymorphs of AlV are known?
What elements does AlV contain?
Where does the data for AlV come from?
How It Compares
Within the a15 superconductors class.
Within the A15 superconductor class, AlV distinguishes itself through its unique stoichiometry compared to more commonly studied variants like AlV3 or Nb2Al. While many compounds in this class are investigated for their specific superconducting transitions, AlV is valued for its structural stability and its position as a baseline reference point for evaluating the broader electronic behavior of aluminum-vanadium intermetallics.
Related Compounds
Other A15 Superconductors in the database.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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