Li2Mn2SbO6

Li2Mn2SbO6 is a metastable, semiconducting layered lithium transition-metal oxide being researched for energy storage applications.

Crystal structure of Li2Mn2SbO6 (orthorhombic, C2221 (No. 20))
Ground-state structure · Materials Project
Overview

About Li2Mn2SbO6

Li2Mn2SbO6 belongs to the family of layered lithium transition-metal oxides, characterized by its semiconducting electronic structure. As a metastable phase, it represents a complex arrangement of lithium, manganese, antimony, and oxygen atoms that offers unique structural pathways for ion mobility.

This material is of significant interest in the field of energy storage research. Its specific composition and layered geometry are investigated for their ability to facilitate lithium-ion transport, making it a subject of interest for next-generation cathode development.

At a glance

Key Properties

Cross-validated computational properties for Li2Mn2SbO6, aggregated across 3 databases.

Band Gap

0.95 eV
Range across DFT structures

Energy Above Hull

0.075 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

7
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Li2Mn2SbO6, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2221 (No. 20)orthorhombic0.950.0753-7.1374.33
Cmce (No. 64)orthorhombic0.000.0900-7.1234.31
Cmce (No. 64)
Cmce (No. 64)
C2221 (No. 20)Orthorhombic4.33
C2221 (No. 20)Orthorhombic4.67
C2221 (No. 20)Orthorhombic4.50
Uses

Applications

Where Li2Mn2SbO6 is used.

Lithium-ion battery cathode researchEnergy storage material development
Reference

Frequently Asked Questions

Common questions about Li2Mn2SbO6, answered from cross-validated data.

What is Li2Mn2SbO6?

Li2Mn2SbO6 is a metastable, semiconducting layered lithium transition-metal oxide being researched for energy storage applications.

More questions
What is Li2Mn2SbO6 used for?
Li2Mn2SbO6 is used in lithium-ion battery cathode research and energy storage material development.
What is the band gap of Li2Mn2SbO6?
Li2Mn2SbO6 has a DFT-computed band gap of 0.95 eV across 7 reported structures.
Is Li2Mn2SbO6 a metal, semiconductor, or insulator?
With a band gap up to 0.95 eV it is a semiconductor.
Is Li2Mn2SbO6 thermodynamically stable?
Li2Mn2SbO6 has a lowest energy above hull of 0.075 eV/atom (metastable).
What is the crystal structure of Li2Mn2SbO6?
The lowest-energy reported polymorph of Li2Mn2SbO6 is orthorhombic symmetry, space group C2221 (No. 20).
What is the density of Li2Mn2SbO6?
The computed density of the ground-state structure of Li2Mn2SbO6 is 4.33 g/cm³.
How many polymorphs of Li2Mn2SbO6 are known?
7 structures of Li2Mn2SbO6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li2Mn2SbO6 contain?
Li2Mn2SbO6 contains Li, Mn, O, and Sb (4 elements).
Where does the data for Li2Mn2SbO6 come from?
Li2Mn2SbO6 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Within the broader class of layered lithium transition-metal oxides, Li2Mn2SbO6 occupies a niche position compared to industry standards like LiCoO2 or LiMn2O4. While those materials are widely deployed for their robust stability and established performance, Li2Mn2SbO6 is a more specialized, metastable variant that provides a distinct structural framework for exploring alternative 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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