MgFe2O4
Magnesium ferrite · Magnesioferrite
Magnesium ferrite is a metallic spinel oxide used primarily as a catalyst for oxygen-evolution reactions in electrochemical systems.
About Magnesium ferrite
Magnesium ferrite is a spinel-structured oxide that functions as a metallic catalyst in electrochemical processes. Its unique electronic character allows it to facilitate oxygen-evolution reactions, making it a subject of interest for sustainable energy conversion technologies.
This compound is valued for its magnetic properties and its potential as a cost-effective alternative to precious metal catalysts. Its structural versatility allows for various synthesis methods, which are essential for optimizing its performance in catalytic applications.
Key Properties
Cross-validated computational properties for Magnesium 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 MgFe2O4. 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 MgFe2O4, 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 | 1.71 | 0.0000 | -7.577 | 4.42 |
| P3m1 (No. 156) | trigonal | 1.38 | 0.0135 | -7.564 | 4.29 |
| P3m1 (No. 156) | trigonal | 1.43 | 0.0236 | -7.554 | 4.25 |
| R3m (No. 160) | trigonal | 1.61 | 0.0344 | -7.543 | 4.26 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0371 | -7.540 | 4.27 |
| P1 (No. 1) | triclinic | 0.79 | 0.0424 | -7.535 | 4.29 |
| P1 (No. 1) | triclinic | 1.52 | 0.0450 | -7.532 | 4.36 |
| Cm (No. 8) | monoclinic | 1.58 | 0.0466 | -7.531 | 4.38 |
| R3m (No. 160) | trigonal | 0.00 | 0.0520 | -1.850 | — |
| R3m (No. 160) | trigonal | 0.00 | 0.0520 | -1.850 | — |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0683 | -1.834 | — |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0685 | -1.834 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting MgFe2O4.
Applications
Where Magnesium ferrite is used.
Frequently Asked Questions
Common questions about Magnesium ferrite, answered from cross-validated data.
What is MgFe2O4?
Magnesium ferrite is a metallic spinel oxide used primarily as a catalyst for oxygen-evolution reactions in electrochemical systems.
What is MgFe2O4 used for?
What is the band gap of MgFe2O4?
Is MgFe2O4 a metal, semiconductor, or insulator?
Is MgFe2O4 thermodynamically stable?
What is the crystal structure of MgFe2O4?
What is the density of MgFe2O4?
How many polymorphs of MgFe2O4 are known?
How is MgFe2O4 synthesized?
What elements does MgFe2O4 contain?
Where does the data for MgFe2O4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the class of oxygen-evolution catalysts, MgFe2O4 serves as a robust, earth-abundant alternative to more complex transition metal oxides like LiCoO2 or LaNiO3. While materials such as LiCoO2 are frequently utilized for their specific electrochemical cycling capabilities, magnesium ferrite provides a distinct metallic character that complements the diverse range of oxide catalysts available for water splitting and related energy storage research.
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)
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