AlErSi
AlErSi is a thermodynamically stable, semimetallic ternary compound composed of aluminum, erbium, and silicon.
About AlErSi
AlErSi is a thermodynamically stable ternary compound that resides on the convex hull, indicating its robust structural integrity. As a near-zero-gap material, it exhibits semimetallic electronic characteristics that distinguish it from traditional insulators or semiconductors.
This compound is of significant interest for fundamental materials research due to its specific elemental combination of aluminum, erbium, and silicon. Its stable configuration makes it a compelling subject for studies into the electronic properties of rare-earth intermetallic systems.
Key Properties
Cross-validated computational properties for AlErSi, aggregated across 3 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 AlErSi. 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.
Frequently Asked Questions
Common questions about AlErSi, answered from cross-validated data.
What is AlErSi?
AlErSi is a thermodynamically stable, semimetallic ternary compound composed of aluminum, erbium, and silicon.
What is the band gap of AlErSi?
Is AlErSi a metal, semiconductor, or insulator?
Is AlErSi thermodynamically stable?
How many polymorphs of AlErSi are known?
What elements does AlErSi contain?
Where does the data for AlErSi come from?
How It Compares
As a unique ternary phase, AlErSi represents a distinct structural arrangement within the broader landscape of aluminum-erbium-silicon systems, serving as a stable benchmark for investigating the interplay between rare-earth magnetism and semimetallic conductivity.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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