Li3VS4

Li3VS4 is a stable semiconducting ternary sulfide compound known for its diverse structural configurations.

LiSV
Crystal structure of Li3VS4
Ground-state structure · Materials Project
Overview

About Li3VS4

Li3VS4 is a ternary sulfide compound that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within its chemical system.

The material is characterized by significant structural diversity, with numerous reported configurations across various databases. This structural flexibility makes it a subject of interest for researchers investigating complex sulfide frameworks and their potential for electronic or electrochemical applications.

At a glance

Key Properties

Cross-validated computational properties for Li3VS4, aggregated across 3 databases.

Band Gap

1.09–1.96 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

15
3 databases, 5 space groups
Uses

Applications

Where Li3VS4 is used.

Solid-state electrolyte researchSemiconductor materials developmentMaterials science research
Reference

Frequently Asked Questions

Common questions about Li3VS4, answered from cross-validated data.

What is Li3VS4?

Li3VS4 is a stable semiconducting ternary sulfide compound known for its diverse structural configurations.

More questions
What is Li3VS4 used for?
Li3VS4 is used in solid-state electrolyte research, semiconductor materials development, and materials science research.
What is the band gap of Li3VS4?
Li3VS4 has a DFT-computed band gap of 1.09–1.96 eV across 15 reported structures.
Is Li3VS4 a metal, semiconductor, or insulator?
With a band gap up to 1.96 eV it is a semiconductor.
Is Li3VS4 thermodynamically stable?
Yes — Li3VS4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li3VS4 are known?
15 structures of Li3VS4 are reported across 3 databases, spanning 5 distinct space groups.
What elements does Li3VS4 contain?
Li3VS4 contains Li, S, and V (3 elements).
Where does the data for Li3VS4 come from?
Li3VS4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a stable ternary sulfide, Li3VS4 serves as a foundational example of lithium-vanadium-sulfur chemistry. It occupies a distinct position in the landscape of stable chalcogenides, providing a baseline for understanding how structural arrangements influence the electronic properties of these semiconducting materials.

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

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