Li4FeCo3O8

This compound is a complex lithium-based transition metal oxide often investigated for its potential role in electrochemical energy storage systems. It is primarily studied as a cathode material candidate for advanced battery technologies due to its specific structural arrangement of iron and cobalt ions.

Crystal structure of Li4FeCo3O8 (triclinic, P1 (No. 1))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Li4FeCo3O8, aggregated across 3 databases.

Band Gap

0.08–0.96 eV
Range across DFT structures

Energy Above Hull

0.120 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

9
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Li4FeCo3O8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P1 (No. 1)triclinic0.960.1205-6.4933.75
R-3m (No. 166)trigonal0.080.1465-6.4674.62
P1 (No. 1)
P1 (No. 1)Triclinic3.58
P1 (No. 1)Triclinic3.79
P1 (No. 1)Triclinic3.75
R-3m (No. 166)Trigonal4.62
R-3m (No. 166)Trigonal5.26
R-3m (No. 166)Trigonal5.00
Uses

Applications

Where Li4FeCo3O8 is used.

Lithium-ion battery researchElectrochemical energy storage developmentSolid-state ionics
Reference

Frequently Asked Questions

Common questions about Li4FeCo3O8, answered from cross-validated data.

What is Li4FeCo3O8?

This compound is a complex lithium-based transition metal oxide often investigated for its potential role in electrochemical energy storage systems. It is primarily studied as a cathode material candidate for advanced battery technologies due to its specific structural arrangement of iron and cobalt ions.

More questions
What is Li4FeCo3O8 used for?
Li4FeCo3O8 is used in lithium-ion battery research, electrochemical energy storage development, and solid-state ionics.
What is the band gap of Li4FeCo3O8?
Li4FeCo3O8 has a DFT-computed band gap of 0.08–0.96 eV across 9 reported structures.
Is Li4FeCo3O8 a metal, semiconductor, or insulator?
With a band gap up to 0.96 eV it is a semiconductor.
Is Li4FeCo3O8 thermodynamically stable?
Li4FeCo3O8 has a lowest energy above hull of 0.120 eV/atom (above hull).
What is the crystal structure of Li4FeCo3O8?
The lowest-energy reported polymorph of Li4FeCo3O8 is triclinic symmetry, space group P1 (No. 1).
What is the density of Li4FeCo3O8?
The computed density of the ground-state structure of Li4FeCo3O8 is 3.75 g/cm³.
How many polymorphs of Li4FeCo3O8 are known?
9 structures of Li4FeCo3O8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li4FeCo3O8 contain?
Li4FeCo3O8 contains Co, Fe, Li, and O (4 elements).
Where does the data for Li4FeCo3O8 come from?
Li4FeCo3O8 data is cross-referenced from materials_project, jarvis, mpaloe.
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Related Compounds

Other Layered Lithium Transition-Metal Oxides in the database.

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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