AuLi2Mg
AuLi2Mg is a semiconducting ternary intermetallic compound that is considered likely to be synthesizable due to its near-hull thermodynamic stability.
About AuLi2Mg
AuLi2Mg is a ternary intermetallic compound characterized by its semiconducting electronic nature. Its structural arrangement suggests a distinct interplay between gold, lithium, and magnesium, positioning it as a material of interest for researchers investigating complex metallic systems.
As a near-hull stable phase, this compound is considered a promising candidate for experimental synthesis. The existence of multiple reported structures across databases highlights its structural versatility and potential for further exploration in materials science research.
Key Properties
Cross-validated computational properties for AuLi2Mg, 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 AuLi2Mg. 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 AuLi2Mg is used.
Frequently Asked Questions
Common questions about AuLi2Mg, answered from cross-validated data.
What is AuLi2Mg?
AuLi2Mg is a semiconducting ternary intermetallic compound that is considered likely to be synthesizable due to its near-hull thermodynamic stability.
What is AuLi2Mg used for?
What is the band gap of AuLi2Mg?
Is AuLi2Mg a metal, semiconductor, or insulator?
Is AuLi2Mg thermodynamically stable?
How many polymorphs of AuLi2Mg are known?
What elements does AuLi2Mg contain?
Where does the data for AuLi2Mg come from?
How It Compares
As a unique ternary intermetallic phase, AuLi2Mg occupies a specialized niche in materials science where the combination of noble metal and light alkali elements creates distinct electronic properties that differentiate it from simpler binary alloy systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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