Al3V
Al3V has a DFT band gap of Metallic / not reported across 25 reported structures in 7 space groups; its lowest-energy polymorph is tetragonal (I4/mmm (No. 139)). Cross-validated across 4 computational databases.
Overview
Key Properties
Cross-validated computational properties for Al3V, 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.
0.000 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.
On hull (stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
25
4 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al3V, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0000 | -8.915 | 3.80 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.1386 | -8.777 | 3.68 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.06 |
| Pm-3m (No. 221) | — | — | — | — | — |
| P21 (No. 4) | Monoclinic | — | — | — | 2.53 |
| P1 (No. 1) | Triclinic | — | — | — | 2.81 |
| Pm-3m (No. 221) | Cubic | — | — | — | 3.78 |
| Pm-3m (No. 221) | Cubic | — | — | — | 3.85 |
| Pm-3m (No. 221) | Cubic | — | — | — | 3.68 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.45 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.22 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.49 |
Reference
Frequently Asked Questions
Common questions about Al3V, answered from cross-validated data.
What is the band gap of Al3V?
Al3V is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Al3V a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Al3V thermodynamically stable?
Yes — Al3V sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Al3V?
The lowest-energy reported polymorph of Al3V is tetragonal symmetry, space group I4/mmm (No. 139).
What is the density of Al3V?
The computed density of the ground-state structure of Al3V is 3.80 g/cm³.
How many polymorphs of Al3V are known?
25 structures of Al3V are reported across 4 databases, spanning 7 distinct space groups.
What elements does Al3V contain?
Al3V contains Al and V (2 elements).
Where does the data for Al3V come from?
Al3V data is cross-referenced from materials_project, mpaloe, jarvis, omat24.
Explore
Related Compounds
Other A15 Superconductors in the database.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze Al3V in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →