Li5BiS4

Li5BiS4 is a metastable semiconducting sulfide compound containing lithium, bismuth, and sulfur.

BiLiS
Crystal structure of Li5BiS4
Ground-state structure · Materials Project
Overview

About Li5BiS4

Li5BiS4 is a complex ternary sulfide composed of lithium, bismuth, and sulfur. As a semiconducting material, it represents an interesting case in solid-state chemistry, particularly due to its metastable nature which suggests unique synthesis pathways and potential for structural tuning.

Its existence as a documented phase across multiple databases highlights its significance in materials research. While it remains a specialized compound, its electronic character makes it a subject of interest for researchers exploring new lithium-containing frameworks for advanced applications.

At a glance

Key Properties

Cross-validated computational properties for Li5BiS4, aggregated across 3 databases.

Band Gap

1.47–1.90 eV
Range across DFT structures

Energy Above Hull

0.045 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

17
3 databases, 5 space groups
Reference

Frequently Asked Questions

Common questions about Li5BiS4, answered from cross-validated data.

What is Li5BiS4?

Li5BiS4 is a metastable semiconducting sulfide compound containing lithium, bismuth, and sulfur.

More questions
What is the band gap of Li5BiS4?
Li5BiS4 has a DFT-computed band gap of 1.47–1.90 eV across 17 reported structures.
Is Li5BiS4 a metal, semiconductor, or insulator?
With a band gap up to 1.90 eV it is a semiconductor.
Is Li5BiS4 thermodynamically stable?
Li5BiS4 has a lowest energy above hull of 0.045 eV/atom (metastable).
How many polymorphs of Li5BiS4 are known?
17 structures of Li5BiS4 are reported across 3 databases, spanning 5 distinct space groups.
What elements does Li5BiS4 contain?
Li5BiS4 contains Bi, Li, and S (3 elements).
Where does the data for Li5BiS4 come from?
Li5BiS4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a metastable semiconducting sulfide, Li5BiS4 occupies a distinct niche in materials science. Without direct structural siblings in its immediate class, it serves as an important reference point for understanding the stability limits of lithium-bismuth-sulfur systems and the influence of stoichiometry on electronic behavior.

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

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