Li2V3WO8

Li2V3WO8 is a thermodynamically stable semiconducting oxide material characterized by its diverse structural arrangements.

LiOVW
Crystal structure of Li2V3WO8 (monoclinic, C2/c (No. 15))
Ground-state structure · Materials Project
Overview

About Li2V3WO8

Li2V3WO8 is a complex oxide featuring a stable structural configuration on the convex hull. As a semiconducting material, it offers unique electronic properties that make it a subject of interest for researchers investigating multi-component lithium-based systems.

With multiple reported structures across various databases, this compound demonstrates significant structural diversity. Its stability and electronic nature suggest potential utility in electrochemical applications where controlled conductivity and structural integrity are required.

At a glance

Key Properties

Cross-validated computational properties for Li2V3WO8, aggregated across 3 databases.

Band Gap

0.95–1.77 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

13
3 databases, 6 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Li2V3WO8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/c (No. 15)monoclinic1.650.0003-8.3974.98
R-3m (No. 166)trigonal1.520.0006-8.3964.96
C2/m (No. 12)monoclinic1.550.0022-8.3954.97
P63mc (No. 186)hexagonal1.510.0028-8.3945.21
P4332 (No. 212)cubic1.770.0056-8.3914.99
P1 (No. 1)triclinic0.950.0156-8.3814.98
P63mc (No. 186)
C2/c (No. 15)Monoclinic4.98
C2/c (No. 15)Monoclinic5.61
C2/c (No. 15)Monoclinic5.25
P63mc (No. 186)Hexagonal5.21
P63mc (No. 186)Hexagonal5.86
Uses

Applications

Where Li2V3WO8 is used.

Energy storage researchElectrochemical material development
Reference

Frequently Asked Questions

Common questions about Li2V3WO8, answered from cross-validated data.

What is Li2V3WO8?

Li2V3WO8 is a thermodynamically stable semiconducting oxide material characterized by its diverse structural arrangements.

More questions
What is Li2V3WO8 used for?
Li2V3WO8 is used in energy storage research and electrochemical material development.
What is the band gap of Li2V3WO8?
Li2V3WO8 has a DFT-computed band gap of 0.95–1.77 eV across 13 reported structures.
Is Li2V3WO8 a metal, semiconductor, or insulator?
With a band gap up to 1.77 eV it is a semiconductor.
Is Li2V3WO8 thermodynamically stable?
Yes — Li2V3WO8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Li2V3WO8?
The lowest-energy reported polymorph of Li2V3WO8 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Li2V3WO8?
The computed density of the ground-state structure of Li2V3WO8 is 4.98 g/cm³.
How many polymorphs of Li2V3WO8 are known?
13 structures of Li2V3WO8 are reported across 3 databases, spanning 6 distinct space groups.
What elements does Li2V3WO8 contain?
Li2V3WO8 contains Li, O, V, and W (4 elements).
Where does the data for Li2V3WO8 come from?
Li2V3WO8 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a distinct lithium-containing oxide, Li2V3WO8 represents a specialized structural motif within the broader landscape of ternary and quaternary metal oxides. Its position on the convex hull highlights a robust thermodynamic profile that distinguishes it from more metastable phases in the field of complex inorganic materials.

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

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