ZnFeO2
zinc ferrite
Zinc ferrite is a ceramic material that belongs to the spinel group of minerals. It is widely studied for its magnetic properties and its potential utility in various catalytic and electronic applications.
Overview
Key Properties
Cross-validated computational properties for ZnFeO2, aggregated across 3 databases.
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.
0.23–1.67 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
41
3 databases, 16 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for ZnFeO2, 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 | 1.67 | 0.0000 | -7.172 | 5.93 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0149 | -7.157 | 5.83 |
| R3m (No. 160) | trigonal | 1.52 | 0.0157 | -7.157 | 5.71 |
| R3m (No. 160) | trigonal | 1.59 | 0.0186 | -7.154 | 5.69 |
| P3m1 (No. 156) | trigonal | 1.59 | 0.0235 | -7.149 | 5.65 |
| P3m1 (No. 156) | trigonal | 1.22 | 0.0240 | -7.148 | 5.69 |
| R3m (No. 160) | trigonal | 1.48 | 0.0345 | -7.138 | 5.71 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0346 | -7.138 | 5.77 |
| P3m1 (No. 156) | trigonal | 1.57 | 0.0436 | -7.129 | 5.64 |
| Imma (No. 74) | orthorhombic | 0.23 | 0.0522 | -7.120 | 5.75 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0537 | -7.119 | 5.68 |
| R3m (No. 160) | trigonal | 1.61 | 0.0640 | -7.108 | 5.69 |
Uses
Applications
Where ZnFeO2 is used.
catalysisgas sensingpigment manufacturingmagnetic materials
Reference
Frequently Asked Questions
Common questions about ZnFeO2, answered from cross-validated data.
What is ZnFeO2?
Zinc ferrite is a ceramic material that belongs to the spinel group of minerals. It is widely studied for its magnetic properties and its potential utility in various catalytic and electronic applications.
More questions
What is ZnFeO2 used for?
ZnFeO2 is used in catalysis, gas sensing, pigment manufacturing, and magnetic materials.
What is the band gap of ZnFeO2?
ZnFeO2 has a DFT-computed band gap of 0.23–1.67 eV across 41 reported structures.
Is ZnFeO2 a metal, semiconductor, or insulator?
With a band gap up to 1.67 eV it is a semiconductor.
Is ZnFeO2 thermodynamically stable?
Yes — ZnFeO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of ZnFeO2?
The lowest-energy reported polymorph of ZnFeO2 is cubic symmetry, space group Fd-3m (No. 227).
What is the density of ZnFeO2?
The computed density of the ground-state structure of ZnFeO2 is 5.93 g/cm³.
How many polymorphs of ZnFeO2 are known?
41 structures of ZnFeO2 are reported across 3 databases, spanning 16 distinct space groups.
What elements does ZnFeO2 contain?
ZnFeO2 contains Fe, O, and Zn (3 elements).
Where does the data for ZnFeO2 come from?
ZnFeO2 data is cross-referenced from materials_project.
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).
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