Mg2CoO4
Mg2CoO4 is a semiconducting oxide material utilized in electrochemical research for its potential as an oxygen-evolution catalyst.
About Mg2CoO4
Mg2CoO4 is a semiconducting oxide that functions as a catalyst for the oxygen-evolution reaction. Its metastable nature makes it a subject of significant interest for researchers aiming to tune catalytic activity through structural manipulation. The material is categorized within the broader family of complex oxides, where its electronic properties are leveraged to facilitate electrochemical processes. Its presence in multiple structural databases highlights its importance as a candidate for developing efficient energy conversion technologies.
Key Properties
Cross-validated computational properties for Mg2CoO4, 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.
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 Mg2CoO4. 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 Mg2CoO4, 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 | 0.72 | 0.0790 | -6.453 | 3.83 |
| — | — | 0.83 | 0.0914 | -2.071 | — |
| Fd-3m (No. 227) | cubic | 0.09 | 0.1699 | -2.022 | — |
| Fd-3m (No. 227) | cubic | — | — | — | 3.96 |
| Fd-3m (No. 227) | cubic | — | — | — | 3.83 |
| Fd-3m (No. 227) | cubic | — | — | — | 4.03 |
Applications
Where Mg2CoO4 is used.
Frequently Asked Questions
Common questions about Mg2CoO4, answered from cross-validated data.
What is Mg2CoO4?
Mg2CoO4 is a semiconducting oxide material utilized in electrochemical research for its potential as an oxygen-evolution catalyst.
What is Mg2CoO4 used for?
What is the band gap of Mg2CoO4?
Is Mg2CoO4 a metal, semiconductor, or insulator?
Is Mg2CoO4 thermodynamically stable?
What is the crystal structure of Mg2CoO4?
What is the density of Mg2CoO4?
How many polymorphs of Mg2CoO4 are known?
What elements does Mg2CoO4 contain?
Where does the data for Mg2CoO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse class of oxygen-evolution catalysts, Mg2CoO4 occupies a distinct position compared to more conventional materials like LiCoO2 or LaMnO3. While many of its siblings are highly stable, the metastability of Mg2CoO4 offers unique pathways for surface engineering and catalytic optimization that are not as readily accessible in more thermodynamically robust oxide structures.
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)
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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