Li5SbS

Li5SbS is a metastable semiconducting sulfide compound studied primarily for its complex structural properties in solid-state materials research.

LiSSb
Crystal structure of Li5SbS
Ground-state structure · Materials Project
Overview

About Li5SbS

Li5SbS is a complex ternary sulfide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique configuration within the lithium-antimony-sulfur chemical space, drawing significant interest from researchers investigating novel materials for solid-state ionics.

Its structural diversity is highlighted by numerous reported configurations across multiple databases. This prevalence in computational studies underscores its importance as a candidate for understanding phase stability and defect chemistry in lithium-rich sulfide systems.

At a glance

Key Properties

Cross-validated computational properties for Li5SbS, aggregated across 3 databases.

Band Gap

0.55–1.72 eV
Range across DFT structures

Energy Above Hull

0.053 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

33
3 databases, 7 space groups
Uses

Applications

Where Li5SbS is used.

Solid-state electrolyte researchLithium-ion battery materials developmentSemiconductor physics studies
Reference

Frequently Asked Questions

Common questions about Li5SbS, answered from cross-validated data.

What is Li5SbS?

Li5SbS is a metastable semiconducting sulfide compound studied primarily for its complex structural properties in solid-state materials research.

More questions
What is Li5SbS used for?
Li5SbS is used in solid-state electrolyte research, lithium-ion battery materials development, and semiconductor physics studies.
What is the band gap of Li5SbS?
Li5SbS has a DFT-computed band gap of 0.55–1.72 eV across 33 reported structures.
Is Li5SbS a metal, semiconductor, or insulator?
With a band gap up to 1.72 eV it is a semiconductor.
Is Li5SbS thermodynamically stable?
Li5SbS has a lowest energy above hull of 0.053 eV/atom (metastable).
How many polymorphs of Li5SbS are known?
33 structures of Li5SbS are reported across 3 databases, spanning 7 distinct space groups.
What elements does Li5SbS contain?
Li5SbS contains Li, S, and Sb (3 elements).
Where does the data for Li5SbS come from?
Li5SbS data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the lithium-antimony-sulfur family, Li5SbS occupies a distinct position due to its metastable nature, which differentiates it from more thermodynamically stable phases in the system. It serves as a critical case study for exploring how specific stoichiometric ratios influence the electronic and structural properties of complex sulfide semiconductors.

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

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