AlFe
AlFe is a thermodynamically stable metallic intermetallic compound composed of aluminum and iron.
About AlFe
AlFe is a metallic intermetallic compound characterized by its robust thermodynamic stability, as it sits directly on the convex hull. Its electronic structure exhibits metallic behavior, lacking a band gap, which defines its conductive nature in various material systems. The compound is notable for its significant structural complexity, supported by a wealth of experimental data across multiple databases. This extensive documentation underscores its importance as a foundational subject for researchers studying binary aluminum-iron systems and their phase transformations. Its stability makes it a reliable reference point for alloy development and high-temperature metallurgical applications.
Key Properties
Cross-validated computational properties for AlFe, 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 AlFe. 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.
Applications
Where AlFe is used.
Frequently Asked Questions
Common questions about AlFe, answered from cross-validated data.
What is AlFe?
AlFe is a thermodynamically stable metallic intermetallic compound composed of aluminum and iron.
What is AlFe used for?
What is the band gap of AlFe?
Is AlFe a metal, semiconductor, or insulator?
Is AlFe thermodynamically stable?
How many polymorphs of AlFe are known?
What elements does AlFe contain?
Where does the data for AlFe come from?
How It Compares
As a binary intermetallic, AlFe serves as a fundamental reference point within the aluminum-iron system. Its position on the convex hull establishes it as a baseline for understanding the thermodynamic landscape of this alloy family, providing a benchmark for the formation and stability of more complex, multi-component metallic phases.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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