CoO4
CoO4 is a semimetallic conversion oxide material studied for its potential role as a high-capacity anode in next-generation electrochemical energy storage devices.
About CoO4
CoO4 is a complex conversion oxide characterized by its near-zero-gap semimetallic electronic structure. As an unconventional member of the oxide anode family, it represents a high-energy-density candidate for advanced electrochemical systems, though its thermodynamic profile suggests it exists in a metastable state relative to more common binary oxides.
Because it sits above the thermodynamic hull, this material is of significant interest to researchers studying phase transformation and structural evolution during battery cycling. Its rich structural data suggests a complex landscape of potential atomic arrangements that could be leveraged for high-capacity energy storage applications.
Key Properties
Cross-validated computational properties for CoO4, 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 CoO4. 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 CoO4, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0263 | -0.602 | — |
| — | — | 0.00 | 0.1674 | -0.461 | — |
| — | — | 0.00 | 0.4574 | -0.171 | — |
| P21/m (No. 11) | monoclinic | 0.01 | 0.5991 | -5.429 | 2.08 |
| P1 (No. 1) | triclinic | — | — | — | 2.81 |
| P-1 (No. 2) | triclinic | — | — | — | 3.43 |
| P-1 (No. 2) | triclinic | — | — | — | 3.56 |
| Cm (No. 8) | monoclinic | — | — | — | 3.96 |
| Cm (No. 8) | monoclinic | — | — | — | 3.25 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.75 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.58 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.90 |
Applications
Where CoO4 is used.
Frequently Asked Questions
Common questions about CoO4, answered from cross-validated data.
What is CoO4?
CoO4 is a semimetallic conversion oxide material studied for its potential role as a high-capacity anode in next-generation electrochemical energy storage devices.
What is CoO4 used for?
What is the band gap of CoO4?
Is CoO4 a metal, semiconductor, or insulator?
Is CoO4 thermodynamically stable?
What is the crystal structure of CoO4?
What is the density of CoO4?
How many polymorphs of CoO4 are known?
What elements does CoO4 contain?
Where does the data for CoO4 come from?
How It Compares
Within the conversion oxide anodes class.
Within the class of conversion oxide anodes, CoO4 occupies a distinct position compared to more conventional, thermodynamically stable compounds like Co3O4 or CoO. While siblings such as Fe2O3 and SnO2 are widely utilized for their predictable conversion mechanisms, CoO4 offers a more exotic electronic profile that challenges standard models of lithiation and structural stability.
Related Compounds
Other Conversion Oxide Anodes in the database.
Data sources & attribution
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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