Mg3Co2O7
Mg3Co2O7 is a metastable, semiconducting oxide material primarily investigated for its potential role in oxygen-evolution catalysis.
About Mg3Co2O7
Mg3Co2O7 is a complex oxide belonging to the class of oxygen-evolution catalysts. As a semiconducting material, it exhibits electronic properties that are distinct from the more metallic or highly conductive oxides often explored for electrochemical water splitting.
Despite its metastable nature, the compound has garnered interest within materials databases due to its structural diversity. It serves as a specialized candidate for researchers investigating how magnesium-cobalt-oxygen frameworks can be tuned for catalytic surface reactions.
Key Properties
Cross-validated computational properties for Mg3Co2O7, 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.
Reported Structures
Lowest-energy structures reported for Mg3Co2O7, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 0.27 | 0.0903 | -6.476 | 4.32 |
| Cmc21 (No. 36) | orthorhombic | 0.00 | 0.1370 | -6.429 | 4.46 |
| Cc (No. 9) | Monoclinic | — | — | — | 4.32 |
| Cc (No. 9) | Monoclinic | — | — | — | 4.69 |
| Cc (No. 9) | Monoclinic | — | — | — | 4.64 |
| Cmc21 (No. 36) | — | — | — | — | — |
| Cmc21 (No. 36) | — | — | — | — | — |
Applications
Where Mg3Co2O7 is used.
Frequently Asked Questions
Common questions about Mg3Co2O7, answered from cross-validated data.
What is Mg3Co2O7?
Mg3Co2O7 is a metastable, semiconducting oxide material primarily investigated for its potential role in oxygen-evolution catalysis.
What is Mg3Co2O7 used for?
What is the band gap of Mg3Co2O7?
Is Mg3Co2O7 a metal, semiconductor, or insulator?
Is Mg3Co2O7 thermodynamically stable?
What is the crystal structure of Mg3Co2O7?
What is the density of Mg3Co2O7?
How many polymorphs of Mg3Co2O7 are known?
What elements does Mg3Co2O7 contain?
Where does the data for Mg3Co2O7 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broad family of oxygen-evolution catalysts, Mg3Co2O7 occupies a niche position compared to well-established battery materials like LiCoO2 or LiMn2O4. While LiCoO2 is widely utilized for its reversible intercalation properties, Mg3Co2O7 is explored for its potential in catalytic applications where structural metastability may offer unique active sites for oxygen production that are not present in more stable, conventional perovskites like LaMnO3.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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