Hg1Se1Tl2

Hg1Se1Tl2 is a semiconducting ternary compound containing mercury, selenium, and thallium that is typically found in an unstable thermodynamic state.

HgSeTl
Crystal structure of Hg1Se1Tl2
Ground-state structure · Materials Project
Overview

About Hg1Se1Tl2

Hg1Se1Tl2 is a ternary compound composed of mercury, selenium, and thallium. As a semiconducting material, it represents a complex arrangement of heavy elements that has been documented across various structural configurations in computational databases. Its electronic nature makes it a subject of interest for fundamental studies in materials science. The compound is characterized by its position relative to the thermodynamic ground state, suggesting it is a metastable or unstable phase. This thermodynamic profile indicates that the material may require specific synthesis conditions or stabilization techniques to be realized in practical experimental settings.

At a glance

Key Properties

Cross-validated computational properties for Hg1Se1Tl2, aggregated across 2 databases.

Band Gap

2.45 eV
Range across DFT structures

Energy Above Hull

0.384 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 15 space groups
Reference

Frequently Asked Questions

Common questions about Hg1Se1Tl2, answered from cross-validated data.

What is Hg1Se1Tl2?

Hg1Se1Tl2 is a semiconducting ternary compound containing mercury, selenium, and thallium that is typically found in an unstable thermodynamic state.

More questions
What is the band gap of Hg1Se1Tl2?
Hg1Se1Tl2 has a DFT-computed band gap of 2.45 eV across 26 reported structures.
Is Hg1Se1Tl2 a metal, semiconductor, or insulator?
With a band gap up to 2.45 eV it is a semiconductor.
Is Hg1Se1Tl2 thermodynamically stable?
Hg1Se1Tl2 has a lowest energy above hull of 0.384 eV/atom (above hull).
How many polymorphs of Hg1Se1Tl2 are known?
26 structures of Hg1Se1Tl2 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Hg1Se1Tl2 contain?
Hg1Se1Tl2 contains Hg, Se, and Tl (3 elements).
Where does the data for Hg1Se1Tl2 come from?
Hg1Se1Tl2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary chalcogenide, Hg1Se1Tl2 serves as an example of the complex phase space occupied by mercury-thallium-selenide systems. Unlike more stable binary counterparts, this compound highlights the challenges in predicting and synthesizing higher-order phases that exist above the thermodynamic hull.

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

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