Li2Cr3FeO8

Li2Cr3FeO8 is a metastable semiconducting oxide containing lithium, chromium, and iron that is studied for its unique structural and electronic properties.

CrFeLiO
Crystal structure of Li2Cr3FeO8
Ground-state structure · Materials Project
Overview

About Li2Cr3FeO8

Li2Cr3FeO8 is a complex oxide composed of 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-based compounds for functional applications. Its metastable nature suggests a unique structural landscape that requires precise synthesis conditions to stabilize its crystalline arrangement. The material is currently documented across multiple structural databases, reflecting its status as a notable entry in the field of inorganic solid-state chemistry. It serves as a platform for studying the interplay between lithium ion mobility and the magnetic or electronic behavior of the chromium and iron sublattices.

At a glance

Key Properties

Cross-validated computational properties for Li2Cr3FeO8, aggregated across 3 databases.

Band Gap

0.01–0.54 eV
Range across DFT structures

Energy Above Hull

0.047 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

22
3 databases, 7 space groups
Uses

Applications

Where Li2Cr3FeO8 is used.

Solid-state researchMaterials science explorationTransition metal oxide studies
Reference

Frequently Asked Questions

Common questions about Li2Cr3FeO8, answered from cross-validated data.

What is Li2Cr3FeO8?

Li2Cr3FeO8 is a metastable semiconducting oxide containing lithium, chromium, and iron that is studied for its unique structural and electronic properties.

More questions
What is Li2Cr3FeO8 used for?
Li2Cr3FeO8 is used in solid-state research, materials science exploration, and transition metal oxide studies.
What is the band gap of Li2Cr3FeO8?
Li2Cr3FeO8 has a DFT-computed band gap of 0.01–0.54 eV across 22 reported structures.
Is Li2Cr3FeO8 a metal, semiconductor, or insulator?
With a band gap up to 0.54 eV it is a semiconductor.
Is Li2Cr3FeO8 thermodynamically stable?
Li2Cr3FeO8 has a lowest energy above hull of 0.047 eV/atom (metastable).
How many polymorphs of Li2Cr3FeO8 are known?
22 structures of Li2Cr3FeO8 are reported across 3 databases, spanning 7 distinct space groups.
What elements does Li2Cr3FeO8 contain?
Li2Cr3FeO8 contains Cr, Fe, Li, and O (4 elements).
Where does the data for Li2Cr3FeO8 come from?
Li2Cr3FeO8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic oxide, Li2Cr3FeO8 occupies a specialized niche in materials research, serving as a distinct example of a metastable semiconducting phase. Unlike more common, highly stable battery materials, this compound represents a more complex structural challenge, providing researchers with a valuable case study in how transition metal combinations influence electronic behavior in non-equilibrium states.

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

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