Al2S3

Aluminum sulfide · dialuminum trisulfide

Aluminum sulfide is a stable, wide-gap insulating material composed of aluminum and sulfur that is primarily utilized in specialized materials science research.

AlS
Crystal structure of Al2S3
Ground-state structure · Materials Project
Overview

About Aluminum sulfide

Aluminum sulfide is a thermodynamically stable binary compound composed of aluminum and sulfur. As a wide-gap insulator, it exhibits distinct electronic properties that differentiate it from metallic or semiconducting sulfides, making it a subject of interest for fundamental materials research.

Due to its structural diversity, with numerous reported configurations across major databases, this compound serves as a key model for understanding bonding and stability in metal-chalcogenide systems. Its unique electronic nature provides a platform for exploring insulating behavior in non-oxide ceramics.

At a glance

Key Properties

Cross-validated computational properties for Aluminum sulfide, aggregated across 4 databases.

Band Gap

1.02–3.04 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

45
4 databases, 15 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of Al2S3. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

1.00 / 1.00
Trust tier: medium

Hull Spread

0.000 eV
EAH spread across sources

Sources Compared

2
jarvis, materials_project

Space Group Consensus

All match
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Al2S3.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where Aluminum sulfide is used.

Materials science researchSemiconductor precursor studiesFundamental solid-state chemistry
Reference

Frequently Asked Questions

Common questions about Aluminum sulfide, answered from cross-validated data.

What is Al2S3?

Aluminum sulfide is a stable, wide-gap insulating material composed of aluminum and sulfur that is primarily utilized in specialized materials science research.

More questions
What is Al2S3 used for?
Aluminum sulfide (Al2S3) is used in materials science research, semiconductor precursor studies, and fundamental solid-state chemistry.
What is the band gap of Al2S3?
Aluminum sulfide (Al2S3) has a DFT-computed band gap of 1.02–3.04 eV across 45 reported structures.
Is Al2S3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.04 eV it is an insulator / wide-band-gap material.
Is Al2S3 thermodynamically stable?
Yes — Aluminum sulfide (Al2S3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Al2S3 are known?
45 structures of Al2S3 are reported across 4 databases, spanning 15 distinct space groups.
How is Al2S3 synthesized?
Literature-reported routes for Al2S3 include solid state.
What elements does Al2S3 contain?
Aluminum sulfide (Al2S3) contains Al and S (2 elements).
Where does the data for Al2S3 come from?
Al2S3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone representative of its class within this context, aluminum sulfide serves as a critical benchmark for insulating metal sulfides. Its thermodynamic stability on the convex hull establishes it as a robust reference point for researchers investigating the structural evolution of aluminum-based chalcogenides.

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

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