Al4Li4S8

Al4Li4S8 is a thermodynamically stable, insulating ternary sulfide compound characterized by a wide electronic band gap.

AlLiS
Crystal structure of Al4Li4S8
Ground-state structure · Materials Project
Overview

About Al4Li4S8

Al4Li4S8 is a complex ternary sulfide that exists as a thermodynamically stable phase, sitting securely on the convex hull. Its electronic character is defined by a wide band gap, classifying it as an insulator that is structurally distinct from simpler binary sulfides.

Given its status as a stable inorganic compound with multiple reported structures across databases, it serves as an intriguing candidate for fundamental research into lithium-aluminum-sulfur systems. Its insulating nature and structural complexity suggest potential utility in specialized solid-state electrolyte research or as a precursor in chemical synthesis.

At a glance

Key Properties

Cross-validated computational properties for Al4Li4S8, aggregated across 3 databases.

Band Gap

4.11 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Al4Li4S8 is used.

Solid-state electrolyte researchFundamental materials science studiesChemical synthesis precursor
Reference

Frequently Asked Questions

Common questions about Al4Li4S8, answered from cross-validated data.

What is Al4Li4S8?

Al4Li4S8 is a thermodynamically stable, insulating ternary sulfide compound characterized by a wide electronic band gap.

More questions
What is Al4Li4S8 used for?
Al4Li4S8 is used in solid-state electrolyte research, fundamental materials science studies, and chemical synthesis precursor.
What is the band gap of Al4Li4S8?
Al4Li4S8 has a DFT-computed band gap of 4.11 eV across 5 reported structures.
Is Al4Li4S8 a metal, semiconductor, or insulator?
With a wide band gap up to 4.11 eV it is an insulator / wide-band-gap material.
Is Al4Li4S8 thermodynamically stable?
Yes — Al4Li4S8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Al4Li4S8 are known?
5 structures of Al4Li4S8 are reported across 3 databases, spanning 1 distinct space group.
What elements does Al4Li4S8 contain?
Al4Li4S8 contains Al, Li, and S (3 elements).
Where does the data for Al4Li4S8 come from?
Al4Li4S8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary sulfide, Al4Li4S8 represents a specialized structural arrangement within the broader field of lithium-based chalcogenides, providing a stable, insulating benchmark for researchers investigating complex sulfur-rich frameworks.

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

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