F3Li3O5V3

This complex inorganic compound is a lithium vanadium oxyfluoride material primarily investigated for its electrochemical properties. It is studied as a potential cathode material for advanced battery technologies due to its ability to facilitate ion transport.

FLiOV
Crystal structure of F3Li3O5V3 (monoclinic, Cm (No. 8))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for F3Li3O5V3, aggregated across 3 databases.

Band Gap

0.67–1.47 eV
Range across DFT structures

Energy Above Hull

0.079 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

6
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for F3Li3O5V3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Cm (No. 8)monoclinic1.020.0794-7.2563.43
P1 (No. 1)triclinic1.470.0883-7.2473.36
P1 (No. 1)triclinic0.001.9795-5.3553.35
P1 (No. 1)triclinic0.672.7033-4.6323.35
3.44
Uses

Applications

Where F3Li3O5V3 is used.

Lithium-ion battery researchEnergy storage material development
Reference

Frequently Asked Questions

Common questions about F3Li3O5V3, answered from cross-validated data.

What is F3Li3O5V3?

This complex inorganic compound is a lithium vanadium oxyfluoride material primarily investigated for its electrochemical properties. It is studied as a potential cathode material for advanced battery technologies due to its ability to facilitate ion transport.

More questions
What is F3Li3O5V3 used for?
F3Li3O5V3 is used in lithium-ion battery research and energy storage material development.
What is the band gap of F3Li3O5V3?
F3Li3O5V3 has a DFT-computed band gap of 0.67–1.47 eV across 6 reported structures.
Is F3Li3O5V3 a metal, semiconductor, or insulator?
With a band gap up to 1.47 eV it is a semiconductor.
Is F3Li3O5V3 thermodynamically stable?
F3Li3O5V3 has a lowest energy above hull of 0.079 eV/atom (metastable).
What is the crystal structure of F3Li3O5V3?
The lowest-energy reported polymorph of F3Li3O5V3 is monoclinic symmetry, space group Cm (No. 8).
What is the density of F3Li3O5V3?
The computed density of the ground-state structure of F3Li3O5V3 is 3.43 g/cm³.
How many polymorphs of F3Li3O5V3 are known?
6 structures of F3Li3O5V3 are reported across 3 databases, spanning 2 distinct space groups.
What elements does F3Li3O5V3 contain?
F3Li3O5V3 contains F, Li, O, and V (4 elements).
Where does the data for F3Li3O5V3 come from?
F3Li3O5V3 data is cross-referenced from materials_project, omat24, alexandria.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • alexandria — Data from alexandria.

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