MgMn2O4
magnesium manganese oxide
MgMn2O4 is a stable, semiconducting magnesium manganese oxide utilized in research focused on oxygen-evolution catalysis.
About magnesium manganese oxide
MgMn2O4 is a semiconducting oxide that sits on the convex hull, indicating significant thermodynamic stability. Its complex structural chemistry is highlighted by the high volume of reported configurations found across multiple research databases, making it a subject of interest for fundamental solid-state studies.
As a member of the oxide oxygen-evolution catalyst class, this material is primarily investigated for its potential role in electrochemical energy conversion. Its stability and semiconducting nature provide a robust platform for exploring catalytic surface reactions in sustainable energy applications.
Key Properties
Cross-validated computational properties for magnesium manganese oxide, aggregated across 5 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.
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 MgMn2O4. 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 MgMn2O4, 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. |
|---|---|---|---|---|---|
| R3m (No. 160) | trigonal | 0.00 | 0.0000 | -2.133 | — |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.0000 | -8.015 | 4.30 |
| — | — | 1.15 | 0.0012 | -2.305 | — |
| — | — | 1.03 | 0.0013 | -2.305 | — |
| Imma (No. 74) | orthorhombic | 0.00 | 0.0101 | -2.122 | — |
| I41/amd (No. 141) | tetragonal | 0.22 | 0.0168 | -2.116 | — |
| I41/a (No. 88) | tetragonal | 0.94 | 0.0201 | -7.995 | 4.17 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0252 | -7.990 | 4.14 |
| Cc (No. 9) | monoclinic | 0.30 | 0.0266 | -7.988 | 4.20 |
| Cm (No. 8) | monoclinic | 0.19 | 0.0274 | -7.988 | 4.20 |
| P1 (No. 1) | triclinic | 0.32 | 0.0281 | -7.987 | 4.20 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0345 | -7.981 | 4.15 |
Synthesis Routes
Literature-extracted synthesis procedures targeting MgMn2O4.
Applications
Where magnesium manganese oxide is used.
Patent Landscape
1 patent reference MgMn2O4 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 9246170 | MgMn2O4 with a crystal structure analogue to CaFe2O4, CaMn2O4, or CaTi2O4 as rechargeable magnesium battery ca | — | — |
Frequently Asked Questions
Common questions about magnesium manganese oxide, answered from cross-validated data.
What is MgMn2O4?
MgMn2O4 is a stable, semiconducting magnesium manganese oxide utilized in research focused on oxygen-evolution catalysis.
What is MgMn2O4 used for?
What is the band gap of MgMn2O4?
Is MgMn2O4 a metal, semiconductor, or insulator?
Is MgMn2O4 thermodynamically stable?
What is the crystal structure of MgMn2O4?
What is the density of MgMn2O4?
How many polymorphs of MgMn2O4 are known?
How is MgMn2O4 synthesized?
What elements does MgMn2O4 contain?
Where does the data for MgMn2O4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxide oxygen-evolution catalysts, MgMn2O4 distinguishes itself through its specific spinel-related architecture compared to the layered structures of LiCoO2 or LiNiO2. While materials like LaMnO3 or BiFeO3 are often studied for their perovskite-based properties, MgMn2O4 offers a unique magnesium-manganese framework that provides a different electronic environment for catalytic activity.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
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