Li2Tl1Zn1
Li2Tl1Zn1 is a semimetallic ternary compound comprising lithium, thallium, and zinc that exists in a metastable state.
About Li2Tl1Zn1
Li2Tl1Zn1 is a complex ternary intermetallic compound composed of lithium, thallium, and zinc. As a semimetallic material with a near-zero electronic gap, it exhibits unique charge transport properties that distinguish it from traditional insulating or metallic phases.
Despite its structural diversity, with numerous reported configurations across databases, this compound is characterized as being above the thermodynamic hull. This suggests that while it can be synthesized under specific conditions, it remains a metastable phase that requires careful processing to maintain its structural integrity.
Key Properties
Cross-validated computational properties for Li2Tl1Zn1, 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.
Frequently Asked Questions
Common questions about Li2Tl1Zn1, answered from cross-validated data.
What is Li2Tl1Zn1?
Li2Tl1Zn1 is a semimetallic ternary compound comprising lithium, thallium, and zinc that exists in a metastable state.
What is the band gap of Li2Tl1Zn1?
Is Li2Tl1Zn1 a metal, semiconductor, or insulator?
Is Li2Tl1Zn1 thermodynamically stable?
How many polymorphs of Li2Tl1Zn1 are known?
What elements does Li2Tl1Zn1 contain?
Where does the data for Li2Tl1Zn1 come from?
How It Compares
As a unique ternary phase, Li2Tl1Zn1 represents an interesting case study in lithium-based intermetallics. Without direct structural siblings in this specific chemical family, it serves as a distinct example of how combining alkali metals with heavy post-transition elements like thallium and transition metals like zinc can result in complex, semimetallic electronic behavior.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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