LiSbS2

LiSbS2 is a thermodynamically stable semiconducting sulfide compound characterized by a diverse range of known structural configurations.

LiSSb
Crystal structure of LiSbS2
Ground-state structure · Materials Project
Overview

About LiSbS2

LiSbS2 is a semiconducting ternary sulfide that maintains a high degree of thermodynamic stability, placing it directly on the convex hull. Its electronic character makes it an intriguing candidate for investigation in solid-state chemistry and materials design.

With numerous reported structures across multiple databases, this material is well-documented for researchers exploring complex sulfide frameworks. Its stability and semiconducting nature suggest potential utility in functional electronic or optoelectronic applications.

At a glance

Key Properties

Cross-validated computational properties for LiSbS2, aggregated across 3 databases.

Band Gap

0.09–1.26 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

16
3 databases, 4 space groups
Uses

Applications

Where LiSbS2 is used.

Semiconductor researchSolid-state chemistryMaterials science development
Reference

Frequently Asked Questions

Common questions about LiSbS2, answered from cross-validated data.

What is LiSbS2?

LiSbS2 is a thermodynamically stable semiconducting sulfide compound characterized by a diverse range of known structural configurations.

More questions
What is LiSbS2 used for?
LiSbS2 is used in semiconductor research, solid-state chemistry, and materials science development.
What is the band gap of LiSbS2?
LiSbS2 has a DFT-computed band gap of 0.09–1.26 eV across 16 reported structures.
Is LiSbS2 a metal, semiconductor, or insulator?
With a band gap up to 1.26 eV it is a semiconductor.
Is LiSbS2 thermodynamically stable?
Yes — LiSbS2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of LiSbS2 are known?
16 structures of LiSbS2 are reported across 3 databases, spanning 4 distinct space groups.
What elements does LiSbS2 contain?
LiSbS2 contains Li, S, and Sb (3 elements).
Where does the data for LiSbS2 come from?
LiSbS2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct ternary sulfide, LiSbS2 serves as a foundational example of stable lithium-antimony-sulfur chemistry, providing a benchmark for structural diversity within this specific chemical system.

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

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