LiV4O10

LiV4O10 is a metastable, semiconducting lithium vanadium oxide studied for its potential applications in electrochemical energy storage systems.

Crystal structure of LiV4O10 (triclinic, P-1 (No. 2))
Ground-state structure · Materials Project
Overview

About LiV4O10

LiV4O10 is a complex lithium oxide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique structural arrangement within the lithium-vanadium-oxygen system, characterized by a diverse range of reported structural configurations found in material databases. Its specific atomic arrangement makes it a subject of interest for researchers studying ion transport and redox activity in solid-state materials. The compound is primarily investigated for its potential utility in electrochemical applications where the flexibility of vanadium oxidation states can be leveraged. By providing a distinct structural framework compared to more traditional lithium oxides, it offers a specialized platform for exploring charge storage mechanisms in battery technology and related energy storage devices.

At a glance

Key Properties

Cross-validated computational properties for LiV4O10, aggregated across 3 databases.

Band Gap

1.22 eV
Range across DFT structures

Energy Above Hull

0.029 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

7
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for LiV4O10, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-1 (No. 2)triclinic0.000.0294-8.2013.27
P1 (No. 1)triclinic1.220.0445-8.1862.21
P-1 (No. 2)triclinic0.000.0696-8.1612.54
P1 (No. 1)Triclinic2.21
P1 (No. 1)Triclinic2.42
P1 (No. 1)Triclinic2.26
P-1 (No. 2)
Uses

Applications

Where LiV4O10 is used.

Electrochemical energy storageBattery electrode researchSolid-state ionics
Reference

Frequently Asked Questions

Common questions about LiV4O10, answered from cross-validated data.

What is LiV4O10?

LiV4O10 is a metastable, semiconducting lithium vanadium oxide studied for its potential applications in electrochemical energy storage systems.

More questions
What is LiV4O10 used for?
LiV4O10 is used in electrochemical energy storage, battery electrode research, and solid-state ionics.
What is the band gap of LiV4O10?
LiV4O10 has a DFT-computed band gap of 1.22 eV across 7 reported structures.
Is LiV4O10 a metal, semiconductor, or insulator?
With a band gap up to 1.22 eV it is a semiconductor.
Is LiV4O10 thermodynamically stable?
LiV4O10 has a lowest energy above hull of 0.029 eV/atom (metastable).
What is the crystal structure of LiV4O10?
The lowest-energy reported polymorph of LiV4O10 is triclinic symmetry, space group P-1 (No. 2).
What is the density of LiV4O10?
The computed density of the ground-state structure of LiV4O10 is 3.27 g/cm³.
How many polymorphs of LiV4O10 are known?
7 structures of LiV4O10 are reported across 3 databases, spanning 2 distinct space groups.
What elements does LiV4O10 contain?
LiV4O10 contains Li, O, and V (3 elements).
Where does the data for LiV4O10 come from?
LiV4O10 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the highly stable and widely utilized LiCoO2 or LiMn2O4, which serve as foundational cathode materials, LiV4O10 exists in a metastable state that distinguishes it from the more conventional, thermodynamically robust members of the lithium oxide family. While siblings like LiV3O8 are also studied for their vanadium-based redox capabilities, LiV4O10 occupies a unique niche due to its specific stoichiometry and structural complexity, offering a different pathway for ion intercalation compared to the simpler Li2O or the layered LiNiO2.

Explore

Related Compounds

Other Lithium Oxides in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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