Li3Cr3FeO8

Li3Cr3FeO8 is a metastable, semiconducting quaternary oxide composed of lithium, chromium, iron, and oxygen.

CrFeLiO
Crystal structure of Li3Cr3FeO8
Ground-state structure · Materials Project
Overview

About Li3Cr3FeO8

Li3Cr3FeO8 is a complex oxide featuring lithium, chromium, iron, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for researchers investigating transition metal oxides with tunable conductivity. Its metastable nature suggests a unique structural landscape that can be accessed through specific synthesis pathways.

Given its status as a data-rich compound with numerous reported structures, this material serves as a valuable case study for understanding phase stability in multi-component oxide systems. Its composition allows for diverse coordination environments, which are critical for exploring new functional properties in solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for Li3Cr3FeO8, aggregated across 3 databases.

Band Gap

0.77 eV
Range across DFT structures

Energy Above Hull

0.050 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

16
3 databases, 4 space groups
Uses

Applications

Where Li3Cr3FeO8 is used.

Solid-state electronic researchMaterials science structural studiesTransition metal oxide development
Reference

Frequently Asked Questions

Common questions about Li3Cr3FeO8, answered from cross-validated data.

What is Li3Cr3FeO8?

Li3Cr3FeO8 is a metastable, semiconducting quaternary oxide composed of lithium, chromium, iron, and oxygen.

More questions
What is Li3Cr3FeO8 used for?
Li3Cr3FeO8 is used in solid-state electronic research, materials science structural studies, and transition metal oxide development.
What is the band gap of Li3Cr3FeO8?
Li3Cr3FeO8 has a DFT-computed band gap of 0.77 eV across 16 reported structures.
Is Li3Cr3FeO8 a metal, semiconductor, or insulator?
With a band gap up to 0.77 eV it is a semiconductor.
Is Li3Cr3FeO8 thermodynamically stable?
Li3Cr3FeO8 has a lowest energy above hull of 0.050 eV/atom (metastable).
How many polymorphs of Li3Cr3FeO8 are known?
16 structures of Li3Cr3FeO8 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Li3Cr3FeO8 contain?
Li3Cr3FeO8 contains Cr, Fe, Li, and O (4 elements).
Where does the data for Li3Cr3FeO8 come from?
Li3Cr3FeO8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct multi-metal oxide, Li3Cr3FeO8 occupies a specialized niche within the broader landscape of lithium-containing transition metal oxides. Unlike more common, thermodynamically stable battery cathode materials, this compound represents a metastable phase that offers researchers a unique opportunity to study structural transitions and electronic behavior in complex, non-equilibrium systems.

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

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