Hg1Li2Tl1

Hg1Li2Tl1 is a thermodynamically stable, semimetallic ternary intermetallic compound composed of mercury, lithium, and thallium.

HgLiTl
Crystal structure of Hg1Li2Tl1
Ground-state structure · Materials Project
Overview

About Hg1Li2Tl1

Hg1Li2Tl1 is a distinct ternary intermetallic compound characterized by its semimetallic electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of mercury, lithium, and thallium atoms.

This material is of significant interest in solid-state chemistry due to its structural complexity, evidenced by numerous reported configurations in crystallographic databases. Its stability and unique electronic profile make it a subject of fundamental research into the behavior of heavy-metal alloys.

At a glance

Key Properties

Cross-validated computational properties for Hg1Li2Tl1, aggregated across 2 databases.

Band Gap

0.09 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

29
2 databases, 15 space groups
Uses

Applications

Where Hg1Li2Tl1 is used.

Fundamental condensed matter researchSolid-state chemistry studiesAlloy development
Reference

Frequently Asked Questions

Common questions about Hg1Li2Tl1, answered from cross-validated data.

What is Hg1Li2Tl1?

Hg1Li2Tl1 is a thermodynamically stable, semimetallic ternary intermetallic compound composed of mercury, lithium, and thallium.

More questions
What is Hg1Li2Tl1 used for?
Hg1Li2Tl1 is used in fundamental condensed matter research, solid-state chemistry studies, and alloy development.
What is the band gap of Hg1Li2Tl1?
Hg1Li2Tl1 has a DFT-computed band gap of 0.09 eV across 29 reported structures.
Is Hg1Li2Tl1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Hg1Li2Tl1 thermodynamically stable?
Yes — Hg1Li2Tl1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Hg1Li2Tl1 are known?
29 structures of Hg1Li2Tl1 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Hg1Li2Tl1 contain?
Hg1Li2Tl1 contains Hg, Li, and Tl (3 elements).
Where does the data for Hg1Li2Tl1 come from?
Hg1Li2Tl1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Hg1Li2Tl1 serves as a specialized example of heavy-metal lithium-based alloys. It occupies a distinct niche in materials research, providing a stable reference point for understanding how the integration of mercury and thallium influences the electronic landscape compared to simpler binary lithium intermetallics.

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

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