Cs4I16Tl4

Cs4I16Tl4 is a metastable semiconducting compound formed from cesium, iodine, and thallium.

CsITl
Crystal structure of Cs4I16Tl4
Ground-state structure · Materials Project
Overview

About Cs4I16Tl4

Cs4I16Tl4 is a complex inorganic compound composed of cesium, iodine, and thallium. It exhibits semiconducting electronic characteristics, positioning it as a material of interest for specialized optoelectronic research where specific charge transport properties are required. As a metastable phase, this compound represents a unique structural arrangement within its chemical system. Its existence across multiple databases underscores its role as a subject of ongoing investigation in solid-state chemistry and materials science.

At a glance

Key Properties

Cross-validated computational properties for Cs4I16Tl4, aggregated across 3 databases.

Band Gap

1.28 eV
Range across DFT structures

Energy Above Hull

0.040 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

3
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about Cs4I16Tl4, answered from cross-validated data.

What is Cs4I16Tl4?

Cs4I16Tl4 is a metastable semiconducting compound formed from cesium, iodine, and thallium.

More questions
What is the band gap of Cs4I16Tl4?
Cs4I16Tl4 has a DFT-computed band gap of 1.28 eV across 3 reported structures.
Is Cs4I16Tl4 a metal, semiconductor, or insulator?
With a band gap up to 1.28 eV it is a semiconductor.
Is Cs4I16Tl4 thermodynamically stable?
Cs4I16Tl4 has a lowest energy above hull of 0.040 eV/atom (metastable).
How many polymorphs of Cs4I16Tl4 are known?
3 structures of Cs4I16Tl4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cs4I16Tl4 contain?
Cs4I16Tl4 contains Cs, I, and Tl (3 elements).
Where does the data for Cs4I16Tl4 come from?
Cs4I16Tl4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct quaternary halide, Cs4I16Tl4 occupies a niche position in the landscape of cesium-thallium-iodide systems. While it lacks direct structural siblings in this specific grouping, it serves as an important reference point for understanding the stability and electronic behavior of complex halide networks.

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

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