Li2Cr3CoO8

This complex oxide is a multi-component material primarily investigated for its electrochemical properties. It is studied as a potential cathode material for advanced energy storage systems due to its unique structural arrangement of transition metals.

Crystal structure of Li2Cr3CoO8 (trigonal, R-3m (No. 166))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Li2Cr3CoO8, aggregated across 3 databases.

Band Gap

0.07–0.61 eV
Range across DFT structures

Energy Above Hull

0.055 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

16
3 databases, 5 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Li2Cr3CoO8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3m (No. 166)trigonal0.000.0555-7.7334.07
R3m (No. 160)trigonal0.590.0715-7.7174.09
P1 (No. 1)triclinic0.070.0718-7.7174.12
C2/m (No. 12)monoclinic0.610.0807-7.7084.07
P1 (No. 1)triclinic0.550.0833-7.7054.38
P4332 (No. 212)cubic0.000.0884-7.7004.23
R3m (No. 160)Trigonal4.09
R3m (No. 160)Trigonal4.48
C2/m (No. 12)Monoclinic4.53
R3m (No. 160)Trigonal4.27
R3m (No. 160)
C2/m (No. 12)Monoclinic4.29
Uses

Applications

Where Li2Cr3CoO8 is used.

Lithium-ion battery researchElectrochemical energy storage developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Li2Cr3CoO8, answered from cross-validated data.

What is Li2Cr3CoO8?

This complex oxide is a multi-component material primarily investigated for its electrochemical properties. It is studied as a potential cathode material for advanced energy storage systems due to its unique structural arrangement of transition metals.

More questions
What is Li2Cr3CoO8 used for?
Li2Cr3CoO8 is used in lithium-ion battery research, electrochemical energy storage development, and solid-state chemistry studies.
What is the band gap of Li2Cr3CoO8?
Li2Cr3CoO8 has a DFT-computed band gap of 0.07–0.61 eV across 16 reported structures.
Is Li2Cr3CoO8 a metal, semiconductor, or insulator?
With a band gap up to 0.61 eV it is a semiconductor.
Is Li2Cr3CoO8 thermodynamically stable?
Li2Cr3CoO8 has a lowest energy above hull of 0.055 eV/atom (metastable).
What is the crystal structure of Li2Cr3CoO8?
The lowest-energy reported polymorph of Li2Cr3CoO8 is trigonal symmetry, space group R-3m (No. 166).
What is the density of Li2Cr3CoO8?
The computed density of the ground-state structure of Li2Cr3CoO8 is 4.07 g/cm³.
How many polymorphs of Li2Cr3CoO8 are known?
16 structures of Li2Cr3CoO8 are reported across 3 databases, spanning 5 distinct space groups.
What elements does Li2Cr3CoO8 contain?
Li2Cr3CoO8 contains Co, Cr, Li, and O (4 elements).
Where does the data for Li2Cr3CoO8 come from?
Li2Cr3CoO8 data is cross-referenced from materials_project, mpaloe, jarvis.
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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.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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