Li1Na1Tl2

Li1Na1Tl2 is a semimetallic ternary intermetallic compound composed of lithium, sodium, and thallium that exists in a metastable state.

LiNaTl
Crystal structure of Li1Na1Tl2
Ground-state structure · Materials Project
Overview

About Li1Na1Tl2

Li1Na1Tl2 is a complex ternary intermetallic compound composed of lithium, sodium, and thallium. Its electronic structure is characterized as a near-zero-gap semimetal, placing it in a unique regime where traditional distinctions between metallic and semiconducting behavior are blurred.

This compound exhibits a high degree of structural diversity, as evidenced by the numerous reported configurations found in crystallographic databases. Because it resides above the thermodynamic hull, it is considered a metastable phase, which makes it a subject of interest for researchers investigating the formation of complex intermetallic alloys.

At a glance

Key Properties

Cross-validated computational properties for Li1Na1Tl2, aggregated across 2 databases.

Band Gap

0.05 eV
Range across DFT structures

Energy Above Hull

1.082 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 16 space groups
Reference

Frequently Asked Questions

Common questions about Li1Na1Tl2, answered from cross-validated data.

What is Li1Na1Tl2?

Li1Na1Tl2 is a semimetallic ternary intermetallic compound composed of lithium, sodium, and thallium that exists in a metastable state.

More questions
What is the band gap of Li1Na1Tl2?
Li1Na1Tl2 has a DFT-computed band gap of 0.05 eV across 27 reported structures.
Is Li1Na1Tl2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Li1Na1Tl2 thermodynamically stable?
Li1Na1Tl2 has a lowest energy above hull of 1.082 eV/atom (above hull).
How many polymorphs of Li1Na1Tl2 are known?
27 structures of Li1Na1Tl2 are reported across 2 databases, spanning 16 distinct space groups.
What elements does Li1Na1Tl2 contain?
Li1Na1Tl2 contains Li, Na, and Tl (3 elements).
Where does the data for Li1Na1Tl2 come from?
Li1Na1Tl2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a ternary intermetallic phase, Li1Na1Tl2 represents a specialized case within the broader landscape of alkali-thallium systems. Without direct structural siblings in this specific class, it serves as a distinct example of how combining light alkali metals with heavy post-transition metals can yield complex, metastable electronic environments.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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