AlRe2
This intermetallic compound is composed of aluminum and rhenium. It is primarily studied in materials science research for its structural properties and potential behavior in extreme environments.
AlRe
Overview
Key Properties
Cross-validated computational properties for AlRe2, aggregated across 5 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)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
91
5 databases, 20 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for AlRe2, 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 | -37.507 | 15.51 |
| Pm (No. 6) | Monoclinic | — | — | — | 13.05 |
| P-1 (No. 2) | Triclinic | — | — | — | 13.83 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 15.21 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 16.39 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 15.49 |
| P-1 (No. 2) | Triclinic | — | — | — | 17.83 |
| C2/c (No. 15) | Monoclinic | — | — | — | 12.67 |
| P-1 (No. 2) | Triclinic | — | — | — | 15.08 |
| Cm (No. 8) | Monoclinic | — | — | — | 16.48 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 10.79 |
| C2 (No. 5) | Monoclinic | — | — | — | 13.97 |
Uses
Applications
Where AlRe2 is used.
Materials science researchFundamental condensed matter physics studies
Reference
Frequently Asked Questions
Common questions about AlRe2, answered from cross-validated data.
What is AlRe2?
This intermetallic compound is composed of aluminum and rhenium. It is primarily studied in materials science research for its structural properties and potential behavior in extreme environments.
More questions
What is AlRe2 used for?
AlRe2 is used in materials science research and fundamental condensed matter physics studies.
What is the band gap of AlRe2?
AlRe2 is computed to be metallic (no band gap) in the reported DFT structures.
Is AlRe2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is AlRe2 thermodynamically stable?
Yes — AlRe2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of AlRe2?
The lowest-energy reported polymorph of AlRe2 is tetragonal symmetry, space group I4/mmm (No. 139).
What is the density of AlRe2?
The computed density of the ground-state structure of AlRe2 is 15.51 g/cm³.
How many polymorphs of AlRe2 are known?
91 structures of AlRe2 are reported across 5 databases, spanning 20 distinct space groups.
What elements does AlRe2 contain?
AlRe2 contains Al and Re (2 elements).
Where does the data for AlRe2 come from?
AlRe2 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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