I6Pb2Tl2

I6Pb2Tl2 is a semiconducting ternary halide compound composed of lead, thallium, and iodine that is considered a viable target for experimental synthesis.

IPbTl
Crystal structure of I6Pb2Tl2
Ground-state structure · Materials Project
Overview

About I6Pb2Tl2

I6Pb2Tl2 is a complex ternary halide composed of iodine, lead, and thallium. As a semiconducting material, it exhibits electronic properties that bridge the gap between traditional insulators and metallic conductors, making it a candidate for specialized optoelectronic investigations.

This compound is classified as near-hull, suggesting it occupies a region of the phase diagram where it is likely synthesizable under controlled laboratory conditions. Its existence across multiple structural databases highlights its significance as a distinct phase in the study of heavy-metal halide chemistry.

At a glance

Key Properties

Cross-validated computational properties for I6Pb2Tl2, aggregated across 3 databases.

Band Gap

2.14 eV
Range across DFT structures

Energy Above Hull

0.011 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Uses

Applications

Where I6Pb2Tl2 is used.

Semiconductor researchSolid-state materials developmentOptoelectronic material studies
Reference

Frequently Asked Questions

Common questions about I6Pb2Tl2, answered from cross-validated data.

What is I6Pb2Tl2?

I6Pb2Tl2 is a semiconducting ternary halide compound composed of lead, thallium, and iodine that is considered a viable target for experimental synthesis.

More questions
What is I6Pb2Tl2 used for?
I6Pb2Tl2 is used in semiconductor research, solid-state materials development, and optoelectronic material studies.
What is the band gap of I6Pb2Tl2?
I6Pb2Tl2 has a DFT-computed band gap of 2.14 eV across 3 reported structures.
Is I6Pb2Tl2 a metal, semiconductor, or insulator?
With a band gap up to 2.14 eV it is a semiconductor.
Is I6Pb2Tl2 thermodynamically stable?
I6Pb2Tl2 has a lowest energy above hull of 0.011 eV/atom (near hull (likely stable)).
How many polymorphs of I6Pb2Tl2 are known?
3 structures of I6Pb2Tl2 are reported across 3 databases, spanning 1 distinct space group.
What elements does I6Pb2Tl2 contain?
I6Pb2Tl2 contains I, Pb, and Tl (3 elements).
Where does the data for I6Pb2Tl2 come from?
I6Pb2Tl2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary halide, I6Pb2Tl2 represents a specialized structural motif within the broader landscape of lead-thallium-iodine chemistry. While many related halides are simple binary or ternary salts, this compound occupies a distinct compositional space that warrants further experimental characterization to fully map its potential utility in semiconductor applications.

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

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