Al1Hf2Re1
Al1Hf2Re1 is a semiconducting ternary compound consisting of aluminum, hafnium, and rhenium that is currently considered a metastable phase.
About Al1Hf2Re1
Al1Hf2Re1 is a complex ternary compound composed of aluminum, hafnium, and rhenium. As a semiconducting material, it occupies a distinct niche in solid-state chemistry, drawing interest from researchers investigating the electronic properties of transition metal-based alloys.
Despite its existence in a significant number of reported structural configurations, this compound is characterized by its position above the thermodynamic hull. This suggests that while it can be synthesized or modeled, it remains a metastable phase that offers insights into the intricate phase space of these specific metallic elements.
Key Properties
Cross-validated computational properties for Al1Hf2Re1, 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 Al1Hf2Re1, 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 | 0.15 | 4.1427 | -5.289 | 1.11 |
| Immm (No. 71) | orthorhombic | 0.13 | 4.1460 | -5.286 | 1.11 |
| P4mm (No. 99) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where Al1Hf2Re1 is used.
Frequently Asked Questions
Common questions about Al1Hf2Re1, answered from cross-validated data.
What is Al1Hf2Re1?
Al1Hf2Re1 is a semiconducting ternary compound consisting of aluminum, hafnium, and rhenium that is currently considered a metastable phase.
What is Al1Hf2Re1 used for?
What is the band gap of Al1Hf2Re1?
Is Al1Hf2Re1 a metal, semiconductor, or insulator?
Is Al1Hf2Re1 thermodynamically stable?
What is the crystal structure of Al1Hf2Re1?
What is the density of Al1Hf2Re1?
How many polymorphs of Al1Hf2Re1 are known?
What elements does Al1Hf2Re1 contain?
Where does the data for Al1Hf2Re1 come from?
How It Compares
As a unique ternary phase, Al1Hf2Re1 serves as an exploratory subject within the broader landscape of aluminum-hafnium-rhenium systems, representing a specialized structural arrangement that deviates from more common, highly stable intermetallic compounds.
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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