Li2V2S5

Li2V2S5 is a metastable semiconducting ternary sulfide compound containing lithium, vanadium, and sulfur.

LiSV
Crystal structure of Li2V2S5
Ground-state structure · Materials Project
Overview

About Li2V2S5

Li2V2S5 is a complex ternary sulfide composed of lithium, vanadium, and sulfur. As a semiconducting material, it represents an interesting subject for solid-state chemistry research, particularly regarding how its atomic arrangement influences electronic behavior.

Because this compound is classified as metastable, its synthesis and structural integrity are of significant interest to materials scientists. The existence of multiple reported structural variations across databases underscores its flexibility and the ongoing efforts to map its phase space.

At a glance

Key Properties

Cross-validated computational properties for Li2V2S5, aggregated across 3 databases.

Band Gap

0.14 eV
Range across DFT structures

Energy Above Hull

0.098 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Li2V2S5 is used.

Solid-state battery researchMaterials science explorationChalcogenide phase stability studies
Reference

Frequently Asked Questions

Common questions about Li2V2S5, answered from cross-validated data.

What is Li2V2S5?

Li2V2S5 is a metastable semiconducting ternary sulfide compound containing lithium, vanadium, and sulfur.

More questions
What is Li2V2S5 used for?
Li2V2S5 is used in solid-state battery research, materials science exploration, and chalcogenide phase stability studies.
What is the band gap of Li2V2S5?
Li2V2S5 has a DFT-computed band gap of 0.14 eV across 5 reported structures.
Is Li2V2S5 a metal, semiconductor, or insulator?
With a band gap up to 0.14 eV it is a semiconductor.
Is Li2V2S5 thermodynamically stable?
Li2V2S5 has a lowest energy above hull of 0.098 eV/atom (metastable).
How many polymorphs of Li2V2S5 are known?
5 structures of Li2V2S5 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li2V2S5 contain?
Li2V2S5 contains Li, S, and V (3 elements).
Where does the data for Li2V2S5 come from?
Li2V2S5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary sulfide, Li2V2S5 occupies a specialized niche in materials science. Without direct structural siblings in this specific class, it serves as a distinct case study for how lithium-vanadium-sulfur systems can adopt varied configurations, providing a benchmark for understanding metastable phase stability in complex chalcogenides.

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

Analyze Li2V2S5 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →