As2Se3

arsenic triselenide · arsenic(III) selenide

Arsenic triselenide is a stable semiconducting material known for its extensive use in infrared optical components and photonics.

AsSe
Crystal structure of As2Se3
Ground-state structure · Materials Project
Overview

About arsenic triselenide

Arsenic triselenide is a thermodynamically stable chalcogenide compound that exhibits distinct semiconducting properties. Its structural versatility is highlighted by a rich array of reported configurations across various materials databases, reflecting its significance in solid-state chemistry.

This material is primarily valued for its transparency in the infrared spectrum, making it a critical component in optical technologies. Its ability to be processed as a glass allows for the fabrication of complex optical elements that are essential for advanced sensing and telecommunications.

At a glance

Key Properties

Cross-validated computational properties for arsenic triselenide, aggregated across 6 databases.

Band Gap

0.60–1.45 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
4 DFT sources

Structures

21
6 databases, 7 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of As2Se3. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

1.00 / 1.00
Trust tier: high

Hull Spread

0.000 eV
EAH spread across sources

Sources Compared

4
aflow, jarvis, materials_project, nomad

Space Group Consensus

All match
Uses

Applications

Where arsenic triselenide is used.

Infrared optical lensesFiber opticsChalcogenide glass manufacturingPhotonic circuitsOptical sensors
Reference

Frequently Asked Questions

Common questions about arsenic triselenide, answered from cross-validated data.

What is As2Se3?

Arsenic triselenide is a stable semiconducting material known for its extensive use in infrared optical components and photonics.

More questions
What is As2Se3 used for?
arsenic triselenide (As2Se3) is used in infrared optical lenses, fiber optics, chalcogenide glass manufacturing, photonic circuits, and optical sensors.
What is the band gap of As2Se3?
arsenic triselenide (As2Se3) has a DFT-computed band gap of 0.60–1.45 eV across 21 reported structures.
Is As2Se3 a metal, semiconductor, or insulator?
With a band gap up to 1.45 eV it is a semiconductor.
Is As2Se3 thermodynamically stable?
Yes — arsenic triselenide (As2Se3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of As2Se3 are known?
21 structures of As2Se3 are reported across 6 databases, spanning 7 distinct space groups.
What elements does As2Se3 contain?
arsenic triselenide (As2Se3) contains As and Se (2 elements).
Where does the data for As2Se3 come from?
As2Se3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a prominent member of the arsenic-selenium system, this compound serves as a foundational material for understanding the behavior of amorphous and crystalline chalcogenides. It is widely regarded as one of the most studied and technologically relevant materials in its class, setting the benchmark for performance in infrared optics.

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

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