As4S16Tl12

As4S16Tl12 is a thermodynamically stable semiconducting compound composed of arsenic, sulfur, and thallium.

AsSTl
Crystal structure of As4S16Tl12
Ground-state structure · Materials Project
Overview

About As4S16Tl12

As4S16Tl12 is a complex ternary chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of arsenic, sulfur, and thallium atoms.

This material is of significant interest in solid-state chemistry due to its structural complexity, evidenced by multiple reported crystallographic configurations. Its stable nature makes it a compelling candidate for fundamental studies into the electronic properties of heavy-metal chalcogenide systems.

At a glance

Key Properties

Cross-validated computational properties for As4S16Tl12, aggregated across 3 databases.

Band Gap

1.77 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

9
3 databases, 1 space group
Uses

Applications

Where As4S16Tl12 is used.

Solid-state researchMaterials science explorationSemiconductor physics studies
Reference

Frequently Asked Questions

Common questions about As4S16Tl12, answered from cross-validated data.

What is As4S16Tl12?

As4S16Tl12 is a thermodynamically stable semiconducting compound composed of arsenic, sulfur, and thallium.

More questions
What is As4S16Tl12 used for?
As4S16Tl12 is used in solid-state research, materials science exploration, and semiconductor physics studies.
What is the band gap of As4S16Tl12?
As4S16Tl12 has a DFT-computed band gap of 1.77 eV across 9 reported structures.
Is As4S16Tl12 a metal, semiconductor, or insulator?
With a band gap up to 1.77 eV it is a semiconductor.
Is As4S16Tl12 thermodynamically stable?
Yes — As4S16Tl12 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of As4S16Tl12 are known?
9 structures of As4S16Tl12 are reported across 3 databases, spanning 1 distinct space group.
What elements does As4S16Tl12 contain?
As4S16Tl12 contains As, S, and Tl (3 elements).
Where does the data for As4S16Tl12 come from?
As4S16Tl12 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary chalcogenide, As4S16Tl12 serves as a specialized example of how thallium and arsenic-sulfur frameworks can combine to form a stable, semiconducting lattice. It stands as a distinct structural entity within the broader landscape of complex metal sulfides.

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

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