AlBaS2

AlBaS2 is a thermodynamically stable, wide-gap insulating sulfide compound.

AlBaS
Overview

About AlBaS2

AlBaS2 is a ternary sulfide compound that exists as a thermodynamically stable phase on the convex hull. Its electronic character is defined by a wide-gap insulating nature, which makes it a subject of interest for researchers investigating specialized dielectric or optical materials. The compound exhibits structural diversity, with multiple reported configurations across materials databases. This structural flexibility highlights its potential for tuning physical properties through synthesis control. As a stable sulfide, it serves as a foundational building block for exploring complex chalcogenide systems where insulating behavior is required for device performance. Its role in materials science is primarily focused on fundamental exploration of its electronic and structural stability.

At a glance

Key Properties

Cross-validated computational properties for AlBaS2, aggregated across 3 databases.

Band Gap

3.66 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Uses

Applications

Where AlBaS2 is used.

Dielectric materials researchOptical materials developmentFundamental solid-state chemistry
Reference

Frequently Asked Questions

Common questions about AlBaS2, answered from cross-validated data.

What is AlBaS2?

AlBaS2 is a thermodynamically stable, wide-gap insulating sulfide compound.

More questions
What is AlBaS2 used for?
AlBaS2 is used in dielectric materials research, optical materials development, and fundamental solid-state chemistry.
What is the band gap of AlBaS2?
AlBaS2 has a DFT-computed band gap of 3.66 eV across 3 reported structures.
Is AlBaS2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.66 eV it is an insulator / wide-band-gap material.
Is AlBaS2 thermodynamically stable?
Yes — AlBaS2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of AlBaS2 are known?
3 structures of AlBaS2 are reported across 3 databases, spanning 1 distinct space group.
What elements does AlBaS2 contain?
AlBaS2 contains Al, Ba, and S (3 elements).
Where does the data for AlBaS2 come from?
AlBaS2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary sulfide, AlBaS2 occupies a distinct position in the landscape of insulating chalcogenides, serving as a stable reference point for future studies into aluminum-barium-sulfur chemistry.

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

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