Ca3Co2O7
Ca3Co2O7 is a metastable, semiconducting oxide material utilized in research for its potential as an oxygen-evolution catalyst.
About Ca3Co2O7
Ca3Co2O7 is a complex oxide belonging to the class of oxygen-evolution catalysts. As a semiconducting material, it is primarily studied for its potential to facilitate electrochemical reactions, specifically the oxygen evolution reaction which is critical for water splitting technologies. Its metastable nature highlights the delicate balance of its crystal structure, which has been documented across multiple structural databases.
Because of its unique cobalt-based chemistry, this compound serves as a subject of interest for researchers aiming to optimize catalytic efficiency. Its electronic character and structural complexity make it a distinct candidate for advanced electrochemical applications where stable, high-performance oxide catalysts are required.
Key Properties
Cross-validated computational properties for Ca3Co2O7, 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 Ca3Co2O7, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 0.17 | 0.0371 | -6.792 | 4.31 |
| Cc (No. 9) | monoclinic | 0.34 | 0.0393 | -6.790 | 4.21 |
| Cc (No. 9) | Monoclinic | — | — | — | 4.21 |
| Cc (No. 9) | Monoclinic | — | — | — | 4.41 |
| Cc (No. 9) | Monoclinic | — | — | — | 4.34 |
| Cmc21 (No. 36) | — | — | — | — | — |
| Cmc21 (No. 36) | — | — | — | — | — |
Applications
Where Ca3Co2O7 is used.
Frequently Asked Questions
Common questions about Ca3Co2O7, answered from cross-validated data.
What is Ca3Co2O7?
Ca3Co2O7 is a metastable, semiconducting oxide material utilized in research for its potential as an oxygen-evolution catalyst.
What is Ca3Co2O7 used for?
What is the band gap of Ca3Co2O7?
Is Ca3Co2O7 a metal, semiconductor, or insulator?
Is Ca3Co2O7 thermodynamically stable?
What is the crystal structure of Ca3Co2O7?
What is the density of Ca3Co2O7?
How many polymorphs of Ca3Co2O7 are known?
What elements does Ca3Co2O7 contain?
Where does the data for Ca3Co2O7 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxygen-evolution catalysts, Ca3Co2O7 occupies a specialized niche compared to more conventional materials like LiCoO2 or NiO. While many of its siblings, such as the perovskite-structured LaMnO3 or the spinel LiMn2O4, are widely recognized for their robust performance in battery and catalytic systems, Ca3Co2O7 offers a different structural framework that provides researchers with a unique platform to study cobalt-oxygen interactions in metastable phases.
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).
Analyze Ca3Co2O7 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →