Al1Re2V1
Al1Re2V1 is a semiconducting ternary compound consisting of aluminum, rhenium, and vanadium that exhibits metastable thermodynamic characteristics.
About Al1Re2V1
Al1Re2V1 is a ternary intermetallic compound composed of aluminum, rhenium, and vanadium. As a semiconducting material, it represents an intriguing subject for electronic property research within the broader context of transition metal aluminides.
Despite its existence in multiple structural configurations, the compound is characterized as being above the thermodynamic hull. This suggests that while it can be synthesized or modeled in various arrangements, it remains a metastable phase that requires specific conditions for formation.
Key Properties
Cross-validated computational properties for Al1Re2V1, aggregated across 2 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 Al1Re2V1, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.00 | 4.1930 | -27.581 | 1.04 |
| I4/mmm (No. 139) | tetragonal | 0.21 | 4.2491 | -27.525 | 1.04 |
| P4mm (No. 99) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
Applications
Where Al1Re2V1 is used.
Frequently Asked Questions
Common questions about Al1Re2V1, answered from cross-validated data.
What is Al1Re2V1?
Al1Re2V1 is a semiconducting ternary compound consisting of aluminum, rhenium, and vanadium that exhibits metastable thermodynamic characteristics.
What is Al1Re2V1 used for?
What is the band gap of Al1Re2V1?
Is Al1Re2V1 a metal, semiconductor, or insulator?
Is Al1Re2V1 thermodynamically stable?
What is the crystal structure of Al1Re2V1?
What is the density of Al1Re2V1?
How many polymorphs of Al1Re2V1 are known?
What elements does Al1Re2V1 contain?
Where does the data for Al1Re2V1 come from?
How It Compares
As a unique ternary phase, Al1Re2V1 serves as a distinct case study for how the combination of rhenium and vanadium with aluminum influences electronic behavior. Without direct structural siblings in this specific class, it stands as a singular example of how complex transition metal combinations can manifest as semiconducting materials despite their inherent thermodynamic instability.
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).
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