ZnFe2O4
zinc ferrite · franklinite
Zinc ferrite is a metallic spinel oxide used as a catalyst for oxygen-evolution reactions in electrochemical applications.
About zinc ferrite
Zinc ferrite is a spinel-structured oxide that functions as a metallic catalyst in electrochemical processes. Its electronic configuration allows for significant interaction with charge carriers, making it a subject of interest for efficient oxygen-evolution reactions in energy conversion systems.
As a versatile transition metal oxide, this compound is studied for its potential to facilitate chemical transformations at the electrode interface. Its ability to maintain structural integrity while participating in catalytic cycles positions it as a relevant material for sustainable energy technologies.
Key Properties
Cross-validated computational properties for zinc ferrite, aggregated across 1 database.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of ZnFe2O4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for ZnFe2O4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 1.69 | 0.0000 | -7.172 | 5.34 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0149 | -7.157 | 5.24 |
| R3m (No. 160) | trigonal | 1.52 | 0.0157 | -7.157 | 5.13 |
| R3m (No. 160) | trigonal | 1.59 | 0.0186 | -7.154 | 5.11 |
| P3m1 (No. 156) | trigonal | 1.59 | 0.0235 | -7.149 | 5.08 |
| P3m1 (No. 156) | trigonal | 1.22 | 0.0240 | -7.148 | 5.12 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0240 | -1.466 | — |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0240 | -1.466 | — |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0240 | -1.466 | — |
| R3m (No. 160) | trigonal | 1.48 | 0.0345 | -7.138 | 5.14 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0346 | -7.138 | 5.19 |
| Imma (No. 74) | orthorhombic | 0.00 | 0.0416 | -1.449 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting ZnFe2O4.
Applications
Where zinc ferrite is used.
Frequently Asked Questions
Common questions about zinc ferrite, answered from cross-validated data.
What is ZnFe2O4?
Zinc ferrite is a metallic spinel oxide used as a catalyst for oxygen-evolution reactions in electrochemical applications.
What is ZnFe2O4 used for?
What is the band gap of ZnFe2O4?
Is ZnFe2O4 a metal, semiconductor, or insulator?
Is ZnFe2O4 thermodynamically stable?
What is the crystal structure of ZnFe2O4?
What is the density of ZnFe2O4?
How many polymorphs of ZnFe2O4 are known?
How is ZnFe2O4 synthesized?
What elements does ZnFe2O4 contain?
Where does the data for ZnFe2O4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse class of oxygen-evolution catalysts, ZnFe2O4 acts as a metallic alternative to the more commonly studied layered oxides like LiCoO2 or LiNiO2. Unlike the lithium-based intercalation materials that dominate battery research, zinc ferrite offers a distinct electronic pathway that complements the behavior of perovskite-type catalysts such as LaMnO3 or LaNiO3.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
Analyze ZnFe2O4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →