MgCoO3
MgCoO3 is a metastable semiconducting oxide utilized in research regarding oxygen-evolution catalysis for energy applications.
About MgCoO3
MgCoO3 is a semiconducting oxide that functions within the broader class of oxygen-evolution catalysts. Its metastable nature makes it a subject of significant interest for researchers looking to tune catalytic activity through structural manipulation and phase control. The compound represents a distinct chemical environment where cobalt and magnesium interact within an oxygen framework, providing a platform for studying charge transfer processes essential for electrochemical water splitting. Its electronic character suggests potential for efficient carrier transport, which is a critical requirement for high-performance catalytic materials in sustainable energy technologies.
Key Properties
Cross-validated computational properties for MgCoO3, 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 MgCoO3, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 0.00 | 0.0661 | -6.548 | 4.57 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0921 | -6.522 | 4.78 |
| C2/c (No. 15) | monoclinic | 0.16 | 0.1037 | -6.510 | 4.35 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.5514 | -6.063 | 4.45 |
| Pnma (No. 62) | — | — | — | — | — |
| R-3 (No. 148) | Trigonal | — | — | — | 4.57 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.97 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.50 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.78 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.35 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.14 |
Applications
Where MgCoO3 is used.
Frequently Asked Questions
Common questions about MgCoO3, answered from cross-validated data.
What is MgCoO3?
MgCoO3 is a metastable semiconducting oxide utilized in research regarding oxygen-evolution catalysis for energy applications.
What is MgCoO3 used for?
What is the band gap of MgCoO3?
Is MgCoO3 a metal, semiconductor, or insulator?
Is MgCoO3 thermodynamically stable?
What is the crystal structure of MgCoO3?
What is the density of MgCoO3?
How many polymorphs of MgCoO3 are known?
What elements does MgCoO3 contain?
Where does the data for MgCoO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxide oxygen-evolution catalysts, MgCoO3 occupies a niche position compared to more established, stable materials like LiCoO2 or LaMnO3. While many of its siblings are characterized by high thermodynamic stability and well-defined electrochemical profiles, MgCoO3 is noted for its metastability, which may offer enhanced catalytic reactivity compared to the more inert, highly stable members of the group.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
Analyze MgCoO3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →