Co2Fe4O8

Co2Fe4O8 is a semiconducting mixed-metal oxide catalyst designed for use in electrochemical oxygen-evolution processes.

Crystal structure of Co2Fe4O8 (cubic, Fd-3m (No. 227))
Ground-state structure · Materials Project
Overview

About Co2Fe4O8

Co2Fe4O8 is a semiconducting mixed-metal oxide that belongs to the class of oxygen-evolution catalysts. Its electronic structure and composition make it a subject of interest for researchers seeking efficient, earth-abundant alternatives for water-splitting technologies.

As a near-hull stable compound, it is considered highly likely to be synthesizable in a laboratory setting. With multiple reported structures across various databases, it represents a well-characterized material within the broader landscape of transition metal oxides used in energy conversion.

At a glance

Key Properties

Cross-validated computational properties for Co2Fe4O8, aggregated across 3 databases.

Band Gap

0.14–1.55 eV
Range across DFT structures

Energy Above Hull

0.010 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

13
3 databases, 6 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Co2Fe4O8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fd-3m (No. 227)cubic1.550.0102-7.8395.17
Imma (No. 74)orthorhombic1.230.0554-7.7945.30
C2 (No. 5)monoclinic0.840.0723-7.7775.15
Cm (No. 8)monoclinic0.610.0746-7.7755.03
Cm (No. 8)monoclinic0.540.0802-7.7695.02
Imma (No. 74)orthorhombic0.140.0950-7.7545.20
P3121 (No. 152)trigonal0.660.1218-7.7275.02
I41/amd (No. 141)tetragonal1.440.5001-7.3495.30
5.12
Fd-3m (No. 227)
Fd-3m (No. 227)
Fd-3m (No. 227)
Uses

Applications

Where Co2Fe4O8 is used.

Oxygen-evolution catalysisElectrochemical water splittingEnergy conversion research
Reference

Frequently Asked Questions

Common questions about Co2Fe4O8, answered from cross-validated data.

What is Co2Fe4O8?

Co2Fe4O8 is a semiconducting mixed-metal oxide catalyst designed for use in electrochemical oxygen-evolution processes.

More questions
What is Co2Fe4O8 used for?
Co2Fe4O8 is used in oxygen-evolution catalysis, electrochemical water splitting, and energy conversion research.
What is the band gap of Co2Fe4O8?
Co2Fe4O8 has a DFT-computed band gap of 0.14–1.55 eV across 13 reported structures.
Is Co2Fe4O8 a metal, semiconductor, or insulator?
With a band gap up to 1.55 eV it is a semiconductor.
Is Co2Fe4O8 thermodynamically stable?
Co2Fe4O8 has a lowest energy above hull of 0.010 eV/atom (near hull (likely stable)).
What is the crystal structure of Co2Fe4O8?
The lowest-energy reported polymorph of Co2Fe4O8 is cubic symmetry, space group Fd-3m (No. 227).
What is the density of Co2Fe4O8?
The computed density of the ground-state structure of Co2Fe4O8 is 5.17 g/cm³.
How many polymorphs of Co2Fe4O8 are known?
13 structures of Co2Fe4O8 are reported across 3 databases, spanning 6 distinct space groups.
What elements does Co2Fe4O8 contain?
Co2Fe4O8 contains Co, Fe, and O (3 elements).
Where does the data for Co2Fe4O8 come from?
Co2Fe4O8 data is cross-referenced from materials_project, omat24, aflow.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Compared to well-known battery cathode materials like LiCoO2 and LiMn2O4, Co2Fe4O8 is specifically optimized for catalytic performance rather than ion intercalation. While perovskite-structured members like LaMnO3 and LaNiO3 are frequently studied for their high conductivity, Co2Fe4O8 offers a distinct metal-oxide framework that balances stability with the necessary electronic properties to drive oxygen-evolution reactions.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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