Li2CrFeO4

Li2CrFeO4 is a stable, semiconducting quaternary oxide containing lithium, chromium, and iron.

CrFeLiO
Crystal structure of Li2CrFeO4
Ground-state structure · Materials Project
Overview

About Li2CrFeO4

Li2CrFeO4 is a complex oxide featuring lithium, chromium, iron, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that is highly favorable for investigation in solid-state chemistry.

This material exhibits semiconducting electronic behavior, making it an intriguing candidate for research into electronic and electrochemical devices. Its status as a well-documented compound with numerous reported structures underscores its significance in materials science research.

At a glance

Key Properties

Cross-validated computational properties for Li2CrFeO4, aggregated across 3 databases.

Band Gap

1.28–2.15 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

45
3 databases, 8 space groups
Uses

Applications

Where Li2CrFeO4 is used.

Energy storage researchSolid-state battery materialsElectrochemical device development
Reference

Frequently Asked Questions

Common questions about Li2CrFeO4, answered from cross-validated data.

What is Li2CrFeO4?

Li2CrFeO4 is a stable, semiconducting quaternary oxide containing lithium, chromium, and iron.

More questions
What is Li2CrFeO4 used for?
Li2CrFeO4 is used in energy storage research, solid-state battery materials, and electrochemical device development.
What is the band gap of Li2CrFeO4?
Li2CrFeO4 has a DFT-computed band gap of 1.28–2.15 eV across 45 reported structures.
Is Li2CrFeO4 a metal, semiconductor, or insulator?
With a band gap up to 2.15 eV it is a semiconductor.
Is Li2CrFeO4 thermodynamically stable?
Yes — Li2CrFeO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li2CrFeO4 are known?
45 structures of Li2CrFeO4 are reported across 3 databases, spanning 8 distinct space groups.
What elements does Li2CrFeO4 contain?
Li2CrFeO4 contains Cr, Fe, Li, and O (4 elements).
Where does the data for Li2CrFeO4 come from?
Li2CrFeO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique quaternary oxide, Li2CrFeO4 serves as a foundational example of multi-metal lithium-based systems. It occupies a distinct structural niche, providing a stable platform for understanding the interplay between transition metals in oxide lattices.

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

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