Li2MnO2

Lithium manganese oxide

This material is a lithium-based transition metal oxide often investigated for its potential role in electrochemical energy storage systems. It serves as a cathode material candidate due to its ability to facilitate the reversible movement of lithium ions during charge and discharge cycles.

Crystal structure of Li2MnO2 (trigonal, P-3m1 (No. 164))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Li2MnO2, aggregated across 3 databases.

Band Gap

2.43 eV
Range across DFT structures

Energy Above Hull

0.028 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

10
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Li2MnO2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-3m1 (No. 164)trigonal2.430.0279-6.5973.67
Immm (No. 71)orthorhombic0.000.0717-6.5533.01
C2/m (No. 12)monoclinic0.000.0746-6.5513.00
Immm (No. 71)
P-3m1 (No. 164)
Immm (No. 71)
P-3m1 (No. 164)Trigonal3.48
P-3m1 (No. 164)Trigonal3.67
P-3m1 (No. 164)Trigonal3.66
P-3m1 (No. 164)
Uses

Applications

Where Li2MnO2 is used.

Lithium-ion battery researchEnergy storage device developmentElectrochemical material studies
Reference

Frequently Asked Questions

Common questions about Li2MnO2, answered from cross-validated data.

What is Li2MnO2?

This material is a lithium-based transition metal oxide often investigated for its potential role in electrochemical energy storage systems. It serves as a cathode material candidate due to its ability to facilitate the reversible movement of lithium ions during charge and discharge cycles.

More questions
What is Li2MnO2 used for?
Li2MnO2 is used in lithium-ion battery research, energy storage device development, and electrochemical material studies.
What is the band gap of Li2MnO2?
Li2MnO2 has a DFT-computed band gap of 2.43 eV across 10 reported structures.
Is Li2MnO2 a metal, semiconductor, or insulator?
With a band gap up to 2.43 eV it is a semiconductor.
Is Li2MnO2 thermodynamically stable?
Li2MnO2 has a lowest energy above hull of 0.028 eV/atom (metastable).
What is the crystal structure of Li2MnO2?
The lowest-energy reported polymorph of Li2MnO2 is trigonal symmetry, space group P-3m1 (No. 164).
What is the density of Li2MnO2?
The computed density of the ground-state structure of Li2MnO2 is 3.67 g/cm³.
How many polymorphs of Li2MnO2 are known?
10 structures of Li2MnO2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Li2MnO2 contain?
Li2MnO2 contains Li, Mn, and O (3 elements).
Where does the data for Li2MnO2 come from?
Li2MnO2 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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