LiCO

LiCO is an unstable, semiconducting lithium oxide compound characterized by a diverse range of potential structural configurations.

Overview

About LiCO

LiCO is a semiconducting member of the lithium oxide family. Its structural complexity is highlighted by the significant number of reported configurations found across multiple materials databases, reflecting an intricate arrangement of lithium, carbon, and oxygen atoms.

As a material that sits above the thermodynamic hull, LiCO is considered inherently unstable under standard conditions. This metastability makes it a subject of interest for researchers investigating phase transitions and the fundamental limits of lithium-based chemical bonding.

At a glance

Key Properties

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

Band Gap

2.22 eV
Range across DFT structures

Energy Above Hull

0.263 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

12
3 databases, 7 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting LiCO.

Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Reference

Frequently Asked Questions

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

What is LiCO?

LiCO is an unstable, semiconducting lithium oxide compound characterized by a diverse range of potential structural configurations.

More questions
What is the band gap of LiCO?
LiCO has a DFT-computed band gap of 2.22 eV across 12 reported structures.
Is LiCO a metal, semiconductor, or insulator?
With a band gap up to 2.22 eV it is a semiconductor.
Is LiCO thermodynamically stable?
LiCO has a lowest energy above hull of 0.263 eV/atom (above hull).
How many polymorphs of LiCO are known?
12 structures of LiCO are reported across 3 databases, spanning 7 distinct space groups.
How is LiCO synthesized?
Literature-reported routes for LiCO include sol gel, solid state (6 procedures documented).
What elements does LiCO contain?
LiCO contains C, Li, and O (3 elements).
Where does the data for LiCO come from?
LiCO data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the highly stable and commercially ubiquitous LiCoO2 or Li2O, which serve as foundational components in modern battery technology, LiCO represents a more exotic and less robust phase within the lithium oxide class. While siblings like LiNiO2 and LiMn2O4 are optimized for electrochemical performance, LiCO remains a theoretical curiosity due to its lack of thermodynamic stability.

Explore

Related Compounds

Other Lithium Oxides in the database.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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