Li4Cr3CoO8

This complex oxide is a lithium-based ceramic material primarily investigated for its electrochemical properties. It is studied as a potential cathode material for advanced energy storage systems due to its transition metal composition.

Crystal structure of Li4Cr3CoO8 (triclinic, P-1 (No. 2))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Li4Cr3CoO8, aggregated across 2 databases.

Band Gap

0.31–1.94 eV
Range across DFT structures

Energy Above Hull

0.012 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
1 DFT source

Structures

41
2 databases, 6 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Li4Cr3CoO8, 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)triclinic0.880.0115-7.4384.26
P-1 (No. 2)triclinic0.860.0116-7.4384.30
P-1 (No. 2)triclinic0.000.0117-7.4384.30
P-1 (No. 2)triclinic0.840.0123-7.4384.30
P-1 (No. 2)triclinic0.810.0123-7.4384.30
P-1 (No. 2)triclinic0.630.0127-7.4374.29
P-1 (No. 2)triclinic1.940.0185-7.4314.22
P2/m (No. 10)monoclinic0.800.0193-7.4314.22
C2/m (No. 12)monoclinic0.850.0209-7.4294.21
R-3m (No. 166)trigonal1.710.0212-7.4294.18
C2/c (No. 15)monoclinic1.630.0227-7.4274.19
C2/m (No. 12)monoclinic0.610.0234-7.4274.19
Uses

Applications

Where Li4Cr3CoO8 is used.

Lithium-ion battery researchElectrochemical energy storage development
Reference

Frequently Asked Questions

Common questions about Li4Cr3CoO8, answered from cross-validated data.

What is Li4Cr3CoO8?

This complex oxide is a lithium-based ceramic material primarily investigated for its electrochemical properties. It is studied as a potential cathode material for advanced energy storage systems due to its transition metal composition.

More questions
What is Li4Cr3CoO8 used for?
Li4Cr3CoO8 is used in lithium-ion battery research and electrochemical energy storage development.
What is the band gap of Li4Cr3CoO8?
Li4Cr3CoO8 has a DFT-computed band gap of 0.31–1.94 eV across 41 reported structures.
Is Li4Cr3CoO8 a metal, semiconductor, or insulator?
With a band gap up to 1.94 eV it is a semiconductor.
Is Li4Cr3CoO8 thermodynamically stable?
Li4Cr3CoO8 has a lowest energy above hull of 0.012 eV/atom (near hull (likely stable)).
What is the crystal structure of Li4Cr3CoO8?
The lowest-energy reported polymorph of Li4Cr3CoO8 is triclinic symmetry, space group P-1 (No. 2).
What is the density of Li4Cr3CoO8?
The computed density of the ground-state structure of Li4Cr3CoO8 is 4.26 g/cm³.
How many polymorphs of Li4Cr3CoO8 are known?
41 structures of Li4Cr3CoO8 are reported across 2 databases, spanning 6 distinct space groups.
What elements does Li4Cr3CoO8 contain?
Li4Cr3CoO8 contains Co, Cr, Li, and O (4 elements).
Where does the data for Li4Cr3CoO8 come from?
Li4Cr3CoO8 data is cross-referenced from materials_project, 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).
  • mpaloe — Data from mpaloe.

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