LiCrFeO4

LiCrFeO4 is a metastable semiconducting oxide containing lithium, chromium, iron, and oxygen.

CrFeLiO
Crystal structure of LiCrFeO4
Ground-state structure · Materials Project
Overview

About LiCrFeO4

LiCrFeO4 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 potential for specialized functional applications. Its metastable nature suggests that its synthesis and structural integrity are highly sensitive to processing conditions, requiring precise control to stabilize specific phases. The existence of multiple reported structures across databases underscores its structural complexity and the ongoing effort to map its phase space. This material serves as a platform for studying the interplay between magnetic transition metals in a lithium-containing lattice, which is a key area of interest for developing future energy-related or electronic materials.

At a glance

Key Properties

Cross-validated computational properties for LiCrFeO4, aggregated across 3 databases.

Band Gap

0.17–0.72 eV
Range across DFT structures

Energy Above Hull

0.064 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

6
3 databases, 2 space groups
Uses

Applications

Where LiCrFeO4 is used.

Materials science researchSolid-state chemistry studiesElectronic component development
Reference

Frequently Asked Questions

Common questions about LiCrFeO4, answered from cross-validated data.

What is LiCrFeO4?

LiCrFeO4 is a metastable semiconducting oxide containing lithium, chromium, iron, and oxygen.

More questions
What is LiCrFeO4 used for?
LiCrFeO4 is used in materials science research, solid-state chemistry studies, and electronic component development.
What is the band gap of LiCrFeO4?
LiCrFeO4 has a DFT-computed band gap of 0.17–0.72 eV across 6 reported structures.
Is LiCrFeO4 a metal, semiconductor, or insulator?
With a band gap up to 0.72 eV it is a semiconductor.
Is LiCrFeO4 thermodynamically stable?
LiCrFeO4 has a lowest energy above hull of 0.064 eV/atom (metastable).
How many polymorphs of LiCrFeO4 are known?
6 structures of LiCrFeO4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does LiCrFeO4 contain?
LiCrFeO4 contains Cr, Fe, Li, and O (4 elements).
Where does the data for LiCrFeO4 come from?
LiCrFeO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique oxide composition, LiCrFeO4 occupies a specialized niche within the broader landscape of lithium-based transition metal materials, serving as a distinct example of how multiple transition metals can be integrated into a single structural framework to tune electronic behavior.

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

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