Li4Mn3FeO8

This complex oxide is a lithium-based material primarily investigated for its potential as a cathode component in advanced energy storage systems. It is designed to facilitate the reversible movement of ions during charge and discharge cycles in battery technologies.

Crystal structure of Li4Mn3FeO8 (trigonal, R-3m (No. 166))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Li4Mn3FeO8, aggregated across 3 databases.

Band Gap

0.15 eV
Range across DFT structures

Energy Above Hull

0.069 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Li4Mn3FeO8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3m (No. 166)trigonal0.150.0689-7.2364.20
R-3m (No. 166)Trigonal4.20
R-3m (No. 166)Trigonal4.62
R-3m (No. 166)Trigonal4.47
R-3m (No. 166)
Uses

Applications

Where Li4Mn3FeO8 is used.

Lithium-ion battery researchCathode material developmentElectrochemical energy storage
Reference

Frequently Asked Questions

Common questions about Li4Mn3FeO8, answered from cross-validated data.

What is Li4Mn3FeO8?

This complex oxide is a lithium-based material primarily investigated for its potential as a cathode component in advanced energy storage systems. It is designed to facilitate the reversible movement of ions during charge and discharge cycles in battery technologies.

More questions
What is Li4Mn3FeO8 used for?
Li4Mn3FeO8 is used in lithium-ion battery research, cathode material development, and electrochemical energy storage.
What is the band gap of Li4Mn3FeO8?
Li4Mn3FeO8 has a DFT-computed band gap of 0.15 eV across 5 reported structures.
Is Li4Mn3FeO8 a metal, semiconductor, or insulator?
With a band gap up to 0.15 eV it is a semiconductor.
Is Li4Mn3FeO8 thermodynamically stable?
Li4Mn3FeO8 has a lowest energy above hull of 0.069 eV/atom (metastable).
What is the crystal structure of Li4Mn3FeO8?
The lowest-energy reported polymorph of Li4Mn3FeO8 is trigonal symmetry, space group R-3m (No. 166).
What is the density of Li4Mn3FeO8?
The computed density of the ground-state structure of Li4Mn3FeO8 is 4.20 g/cm³.
How many polymorphs of Li4Mn3FeO8 are known?
5 structures of Li4Mn3FeO8 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li4Mn3FeO8 contain?
Li4Mn3FeO8 contains Fe, Li, Mn, and O (4 elements).
Where does the data for Li4Mn3FeO8 come from?
Li4Mn3FeO8 data is cross-referenced from materials_project, mpaloe, jarvis.
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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).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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