MgMn4O8
MgMn4O8 is a metastable semiconducting oxide catalyst designed for use in oxygen-evolution reactions.
About MgMn4O8
MgMn4O8 is a semiconducting oxide that functions as a catalyst for oxygen-evolution processes. Its specific electronic structure and metastable nature make it an intriguing candidate for research into efficient electrochemical energy conversion systems.
The material is characterized by a complex structural framework that supports its catalytic activity. Its role within the broader family of oxygen-evolution catalysts is defined by its ability to facilitate critical chemical transformations while maintaining stability under experimental conditions.
Key Properties
Cross-validated computational properties for MgMn4O8, aggregated across 2 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 MgMn4O8. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for MgMn4O8, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for MgMn4O8, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.00 | 0.0397 | -8.058 | 4.05 |
| Imm2 (No. 44) | orthorhombic | 0.23 | 0.0424 | -8.055 | 4.10 |
| R-3m (No. 166) | trigonal | 0.77 | 0.0472 | -8.050 | 3.93 |
| Pc (No. 7) | monoclinic | 0.29 | 0.0492 | -8.048 | 4.08 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0593 | -8.038 | 4.03 |
| P21/c (No. 14) | monoclinic | 0.38 | 0.0718 | -8.025 | 4.09 |
| C2/m (No. 12) | monoclinic | 0.09 | 0.0751 | -8.022 | 4.35 |
| Pm (No. 6) | monoclinic | 0.59 | 0.0802 | -8.017 | 4.28 |
| I-4m2 (No. 119) | tetragonal | 0.00 | 0.0850 | -8.012 | 4.07 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1242 | -7.973 | 4.08 |
| Imm2 (No. 44) | orthorhombic | 0.00 | 0.2028 | -7.894 | 4.63 |
| Imm2 (No. 44) | orthorhombic | 0.09 | 0.2049 | -7.892 | 4.08 |
Applications
Where MgMn4O8 is used.
Frequently Asked Questions
Common questions about MgMn4O8, answered from cross-validated data.
What is MgMn4O8?
MgMn4O8 is a metastable semiconducting oxide catalyst designed for use in oxygen-evolution reactions.
What is MgMn4O8 used for?
What is the band gap of MgMn4O8?
Is MgMn4O8 a metal, semiconductor, or insulator?
Is MgMn4O8 thermodynamically stable?
What is the crystal structure of MgMn4O8?
What is the density of MgMn4O8?
How many polymorphs of MgMn4O8 are known?
What elements does MgMn4O8 contain?
Where does the data for MgMn4O8 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the highly stable and widely utilized LiMn2O4, MgMn4O8 exists in a metastable state, which provides unique pathways for catalytic activity that differ from the more conventional spinel structures found in the class. Its semiconducting nature positions it as a distinct alternative to metallic or highly conductive oxides like LaNiO3, offering a different electronic environment for surface-mediated reactions.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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