Co2O3
cobalt(III) oxide · cobaltic oxide
Co2O3 is a semiconducting cobalt-based oxide used primarily as a research material for developing high-capacity conversion anodes in battery technologies.
About cobalt(III) oxide
Co2O3 is a semiconducting transition metal oxide that serves as a candidate material for conversion-based anode applications. Its structural complexity is highlighted by a significant number of reported configurations, reflecting its role as a subject of intense investigation in materials science research. Due to its position above the thermodynamic hull, it is considered a metastable phase. This characteristic makes it a fascinating subject for studying phase transformations and reactivity in electrochemical systems, where its conversion mechanism is leveraged to store charge.
Key Properties
Cross-validated computational properties for cobalt(III) oxide, aggregated across 4 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 Co2O3. 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 Co2O3, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.15 | 0.3006 | -6.751 | 4.87 |
| P1 (No. 1) | Triclinic | — | — | — | 6.17 |
| P3m1 (No. 156) | Trigonal | — | — | — | 4.88 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.51 |
| R3m (No. 160) | Trigonal | — | — | — | 6.30 |
| R3m (No. 160) | Trigonal | — | — | — | 6.41 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.10 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.40 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.39 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 5.63 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.80 |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.22 |
Applications
Where cobalt(III) oxide is used.
Frequently Asked Questions
Common questions about cobalt(III) oxide, answered from cross-validated data.
What is Co2O3?
Co2O3 is a semiconducting cobalt-based oxide used primarily as a research material for developing high-capacity conversion anodes in battery technologies.
What is Co2O3 used for?
What is the band gap of Co2O3?
Is Co2O3 a metal, semiconductor, or insulator?
Is Co2O3 thermodynamically stable?
What is the crystal structure of Co2O3?
What is the density of Co2O3?
How many polymorphs of Co2O3 are known?
What elements does Co2O3 contain?
Where does the data for Co2O3 come from?
How It Compares
Within the conversion oxide anodes class.
Within the class of conversion oxide anodes, Co2O3 occupies a distinct position compared to more stable counterparts like Co3O4 or CoO. While Co3O4 is frequently utilized as a benchmark for cobalt-based anodes due to its robust cycling performance, Co2O3 offers a different structural pathway for lithium storage, often serving as a comparative model for understanding how oxidation states influence the kinetics and stability of transition metal oxides during conversion processes.
Related Compounds
Other Conversion Oxide Anodes 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.
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