Li8BiS6

Li8BiS6 is a metastable, semimetallic ternary sulfide containing lithium, bismuth, and sulfur used in advanced materials research.

BiLiS
Crystal structure of Li8BiS6
Ground-state structure · Materials Project
Overview

About Li8BiS6

Li8BiS6 is a complex ternary sulfide composed of lithium, bismuth, and sulfur. As a metastable phase, it represents a specific structural arrangement within the lithium-bismuth-sulfur chemical space, characterized by its near-zero-gap electronic signature which suggests semimetallic behavior.

This compound is of significant interest to researchers investigating novel ion-conducting materials and electronic conductors. Its unique electronic character and structural complexity make it a subject of study for those looking to tune properties in sulfur-based solid-state systems.

At a glance

Key Properties

Cross-validated computational properties for Li8BiS6, aggregated across 3 databases.

Band Gap

0.02 eV
Range across DFT structures

Energy Above Hull

0.072 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

9
3 databases, 2 space groups
Uses

Applications

Where Li8BiS6 is used.

Solid-state ionics researchElectronic materials developmentFundamental condensed matter studies
Reference

Frequently Asked Questions

Common questions about Li8BiS6, answered from cross-validated data.

What is Li8BiS6?

Li8BiS6 is a metastable, semimetallic ternary sulfide containing lithium, bismuth, and sulfur used in advanced materials research.

More questions
What is Li8BiS6 used for?
Li8BiS6 is used in solid-state ionics research, electronic materials development, and fundamental condensed matter studies.
What is the band gap of Li8BiS6?
Li8BiS6 has a DFT-computed band gap of 0.02 eV across 9 reported structures.
Is Li8BiS6 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Li8BiS6 thermodynamically stable?
Li8BiS6 has a lowest energy above hull of 0.072 eV/atom (metastable).
How many polymorphs of Li8BiS6 are known?
9 structures of Li8BiS6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li8BiS6 contain?
Li8BiS6 contains Bi, Li, and S (3 elements).
Where does the data for Li8BiS6 come from?
Li8BiS6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the lithium-bismuth-sulfur system, Li8BiS6 occupies a distinct position due to its metastable nature and semimetallic electronic profile, serving as a specialized case study for how stoichiometry influences conductivity in multi-component sulfides.

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

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