Li6Mn5CoO12

Li6Mn5CoO12 is a semiconducting, metastable lithium transition-metal oxide used in the research and development of advanced battery cathode materials.

Crystal structure of Li6Mn5CoO12 (triclinic, P-1 (No. 2))
Ground-state structure · Materials Project
Overview

About Li6Mn5CoO12

Li6Mn5CoO12 is a complex, metastable member of the layered lithium transition-metal oxide family. Its electronic character is defined as semiconducting, positioning it as a subject of interest for researchers investigating charge transport and electrochemical activity in lithium-based systems.

This material is primarily studied for its potential utility in energy storage technologies. As a multicomponent oxide, it offers a unique structural framework that contributes to the ongoing development of high-capacity cathode materials for next-generation batteries.

At a glance

Key Properties

Cross-validated computational properties for Li6Mn5CoO12, aggregated across 3 databases.

Band Gap

0.51–0.72 eV
Range across DFT structures

Energy Above Hull

0.049 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

11
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Li6Mn5CoO12, 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)triclinic0.720.0495-7.1993.86
P-1 (No. 2)triclinic0.000.0531-7.1953.98
P-1 (No. 2)triclinic0.510.0549-7.1933.99
P-1 (No. 2)triclinic0.000.0574-7.1914.01
P-1 (No. 2)
P-1 (No. 2)Triclinic4.05
P-1 (No. 2)Triclinic4.19
P-1 (No. 2)
P-1 (No. 2)Triclinic3.86
P-1 (No. 2)
P-1 (No. 2)
Uses

Applications

Where Li6Mn5CoO12 is used.

Battery cathode researchEnergy storage material development
Reference

Frequently Asked Questions

Common questions about Li6Mn5CoO12, answered from cross-validated data.

What is Li6Mn5CoO12?

Li6Mn5CoO12 is a semiconducting, metastable lithium transition-metal oxide used in the research and development of advanced battery cathode materials.

More questions
What is Li6Mn5CoO12 used for?
Li6Mn5CoO12 is used in battery cathode research and energy storage material development.
What is the band gap of Li6Mn5CoO12?
Li6Mn5CoO12 has a DFT-computed band gap of 0.51–0.72 eV across 11 reported structures.
Is Li6Mn5CoO12 a metal, semiconductor, or insulator?
With a band gap up to 0.72 eV it is a semiconductor.
Is Li6Mn5CoO12 thermodynamically stable?
Li6Mn5CoO12 has a lowest energy above hull of 0.049 eV/atom (metastable).
What is the crystal structure of Li6Mn5CoO12?
The lowest-energy reported polymorph of Li6Mn5CoO12 is triclinic symmetry, space group P-1 (No. 2).
What is the density of Li6Mn5CoO12?
The computed density of the ground-state structure of Li6Mn5CoO12 is 3.86 g/cm³.
How many polymorphs of Li6Mn5CoO12 are known?
11 structures of Li6Mn5CoO12 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li6Mn5CoO12 contain?
Li6Mn5CoO12 contains Co, Li, Mn, and O (4 elements).
Where does the data for Li6Mn5CoO12 come from?
Li6Mn5CoO12 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Within the broad class of layered lithium transition-metal oxides, Li6Mn5CoO12 occupies a distinct niche compared to more conventional materials like LiCoO2 or LiMn2O4. While those siblings are widely utilized for their established stability and performance, this compound is characterized by its metastable nature, which provides a unique structural landscape for exploring novel electrochemical behaviors.

Explore

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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