AsSe3Tl3

AsSe3Tl3 is a thermodynamically stable semiconducting compound composed of arsenic, selenium, and thallium.

AsSeTl
Crystal structure of AsSe3Tl3
Ground-state structure · Materials Project
Overview

About AsSe3Tl3

AsSe3Tl3 is a complex ternary chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within the arsenic-selenium-thallium system.

This material is characterized by significant structural diversity, with multiple reported configurations across various databases. Its stability and semiconducting nature make it a subject of interest for researchers investigating the fundamental physics of ternary p-block chalcogenides.

At a glance

Key Properties

Cross-validated computational properties for AsSe3Tl3, aggregated across 3 databases.

Band Gap

0.88 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
3 databases, 1 space group
Uses

Applications

Where AsSe3Tl3 is used.

semiconductor researchmaterials science studieschalcogenide glass development
Reference

Frequently Asked Questions

Common questions about AsSe3Tl3, answered from cross-validated data.

What is AsSe3Tl3?

AsSe3Tl3 is a thermodynamically stable semiconducting compound composed of arsenic, selenium, and thallium.

More questions
What is AsSe3Tl3 used for?
AsSe3Tl3 is used in semiconductor research, materials science studies, and chalcogenide glass development.
What is the band gap of AsSe3Tl3?
AsSe3Tl3 has a DFT-computed band gap of 0.88 eV across 6 reported structures.
Is AsSe3Tl3 a metal, semiconductor, or insulator?
With a band gap up to 0.88 eV it is a semiconductor.
Is AsSe3Tl3 thermodynamically stable?
Yes — AsSe3Tl3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of AsSe3Tl3 are known?
6 structures of AsSe3Tl3 are reported across 3 databases, spanning 1 distinct space group.
What elements does AsSe3Tl3 contain?
AsSe3Tl3 contains As, Se, and Tl (3 elements).
Where does the data for AsSe3Tl3 come from?
AsSe3Tl3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct ternary chalcogenide, AsSe3Tl3 occupies a unique position in materials research. Without direct siblings in its immediate class, it serves as a primary reference point for understanding the interplay between heavy metal cations and chalcogen networks in stable, semiconducting crystalline solids.

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

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