LiCoSnO4

LiCoSnO4 is a semiconducting, metastable layered oxide containing lithium, cobalt, tin, and oxygen, studied primarily for its potential role in battery technology.

Crystal structure of LiCoSnO4 (orthorhombic, Imma (No. 74))
Ground-state structure · Materials Project
Overview

About LiCoSnO4

LiCoSnO4 is a complex quaternary oxide belonging to the layered lithium transition-metal oxide family. As a semiconducting material, it represents a unique intersection of lithium-ion chemistry and multimetallic oxide frameworks, attracting interest for its potential in electrochemical energy storage systems.

While identified as a metastable phase, the compound is supported by a significant body of structural data across multiple databases. Its specific arrangement of lithium, cobalt, tin, and oxygen atoms makes it a subject of ongoing investigation for researchers looking to optimize cathode performance and structural stability in next-generation battery architectures.

At a glance

Key Properties

Cross-validated computational properties for LiCoSnO4, aggregated across 3 databases.

Band Gap

0.09–1.26 eV
Range across DFT structures

Energy Above Hull

0.058 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

29
3 databases, 4 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for LiCoSnO4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Imma (No. 74)orthorhombic0.720.0578-6.5355.53
C2/m (No. 12)monoclinic0.930.0603-6.5325.04
C2/m (No. 12)monoclinic0.000.0612-6.5315.05
C2/c (No. 15)monoclinic0.090.0617-6.5315.06
C2/c (No. 15)monoclinic0.970.0687-6.5245.02
Imma (No. 74)orthorhombic0.470.0693-6.5235.31
P4322 (No. 95)tetragonal1.260.0976-6.4955.18
P4322 (No. 95)
Imma (No. 74)
P4322 (No. 95)
C2/m (No. 12)Monoclinic5.47
Imma (No. 74)
Uses

Applications

Where LiCoSnO4 is used.

Battery electrode researchEnergy storage materials development
Reference

Frequently Asked Questions

Common questions about LiCoSnO4, answered from cross-validated data.

What is LiCoSnO4?

LiCoSnO4 is a semiconducting, metastable layered oxide containing lithium, cobalt, tin, and oxygen, studied primarily for its potential role in battery technology.

More questions
What is LiCoSnO4 used for?
LiCoSnO4 is used in battery electrode research and energy storage materials development.
What is the band gap of LiCoSnO4?
LiCoSnO4 has a DFT-computed band gap of 0.09–1.26 eV across 29 reported structures.
Is LiCoSnO4 a metal, semiconductor, or insulator?
With a band gap up to 1.26 eV it is a semiconductor.
Is LiCoSnO4 thermodynamically stable?
LiCoSnO4 has a lowest energy above hull of 0.058 eV/atom (metastable).
What is the crystal structure of LiCoSnO4?
The lowest-energy reported polymorph of LiCoSnO4 is orthorhombic symmetry, space group Imma (No. 74).
What is the density of LiCoSnO4?
The computed density of the ground-state structure of LiCoSnO4 is 5.53 g/cm³.
How many polymorphs of LiCoSnO4 are known?
29 structures of LiCoSnO4 are reported across 3 databases, spanning 4 distinct space groups.
What elements does LiCoSnO4 contain?
LiCoSnO4 contains Co, Li, O, and Sn (4 elements).
Where does the data for LiCoSnO4 come from?
LiCoSnO4 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, LiCoSnO4 occupies a niche position compared to widely commercialized counterparts like LiCoO2 or LiMn2O4. Unlike these stable, high-capacity standards, LiCoSnO4 introduces tin into the lattice, which alters the electronic and structural landscape, offering a different pathway for ion diffusion and redox activity compared to traditional binary or ternary transition-metal oxides.

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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