UCoO4
UCoO4 is a semiconducting uranium-cobalt oxide studied primarily for its potential role in oxygen-evolution catalytic processes.
About UCoO4
UCoO4 is a complex oxide containing uranium and cobalt, classified within the group of oxygen-evolution catalysts. As a semiconducting material, it represents a specialized area of study for researchers looking to tune electronic properties for electrochemical reactions.
While it is categorized as an oxygen-evolution catalyst, the compound is characterized as being thermodynamically unstable relative to other phases. Its existence in multiple reported structures highlights its role as a subject of interest in experimental materials science and structural phase exploration.
Key Properties
Cross-validated computational properties for UCoO4, 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 UCoO4. 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 UCoO4, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 0.00 | 0.0756 | -2.452 | — |
| Imma (No. 74) | orthorhombic | 0.68 | 0.1330 | -9.068 | 7.89 |
| — | — | 1.29 | 0.1940 | -2.375 | — |
| Imma (No. 74) | orthorhombic | — | — | — | 8.17 |
| Imma (No. 74) | orthorhombic | — | — | — | 7.89 |
| Imma (No. 74) | orthorhombic | — | — | — | 8.40 |
| Imma (No. 74) | orthorhombic | — | — | — | 8.17 |
Applications
Where UCoO4 is used.
Frequently Asked Questions
Common questions about UCoO4, answered from cross-validated data.
What is UCoO4?
UCoO4 is a semiconducting uranium-cobalt oxide studied primarily for its potential role in oxygen-evolution catalytic processes.
What is UCoO4 used for?
What is the band gap of UCoO4?
Is UCoO4 a metal, semiconductor, or insulator?
Is UCoO4 thermodynamically stable?
What is the crystal structure of UCoO4?
How many polymorphs of UCoO4 are known?
What elements does UCoO4 contain?
Where does the data for UCoO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the highly stable and widely utilized LiCoO2 or the perovskite-structured LaMnO3, UCoO4 is distinguished by its position above the thermodynamic hull, indicating a more challenging synthesis profile compared to more conventional oxide catalysts like NiO or LiMn2O4.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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