UCO5
UCO5 is a stable semiconducting material composed of uranium, carbon, and oxygen that is highly regarded for its structural consistency.
About UCO5
UCO5 is a complex inorganic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of uranium, carbon, and oxygen atoms. Its structural integrity makes it a significant subject for researchers investigating actinide-based materials.
With multiple reported structures across major databases, this compound serves as a focal point for understanding the interplay between heavy elements and light non-metals. Its stability suggests potential for specialized applications where electronic properties and structural persistence are critical.
Key Properties
Cross-validated computational properties for UCO5, 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 UCO5. 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 UCO5, 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. |
|---|---|---|---|---|---|
| — | — | 4.16 | 0.0000 | -2.570 | — |
| Imm2 (No. 44) | orthorhombic | 2.48 | 0.0000 | -2.416 | — |
| Imm2 (No. 44) | orthorhombic | 2.29 | 0.0005 | -9.288 | 5.78 |
| Pmmn (No. 59) | orthorhombic | 2.28 | 0.0007 | -9.287 | 5.77 |
| — | — | 4.19 | 0.0016 | -2.569 | — |
| Imm2 (No. 44) | orthorhombic | — | — | — | 5.68 |
| Pmmn (No. 59) | orthorhombic | — | — | — | 5.72 |
| Imm2 (No. 44) | orthorhombic | — | — | — | 5.35 |
| Pmmn (No. 59) | orthorhombic | — | — | — | 5.40 |
| Pmmn (No. 59) | orthorhombic | — | — | — | 5.33 |
| Imm2 (No. 44) | orthorhombic | — | — | — | 5.66 |
| Imm2 (No. 44) | orthorhombic | — | — | — | 5.42 |
Applications
Where UCO5 is used.
Frequently Asked Questions
Common questions about UCO5, answered from cross-validated data.
What is UCO5?
UCO5 is a stable semiconducting material composed of uranium, carbon, and oxygen that is highly regarded for its structural consistency.
What is UCO5 used for?
What is the band gap of UCO5?
Is UCO5 a metal, semiconductor, or insulator?
Is UCO5 thermodynamically stable?
What is the crystal structure of UCO5?
How many polymorphs of UCO5 are known?
What elements does UCO5 contain?
Where does the data for UCO5 come from?
How It Compares
As a unique inorganic compound, UCO5 occupies a distinct position in materials science, serving as a primary reference point for its specific chemical composition and electronic behavior within the broader landscape of uranium-based semiconductors.
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)
- 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)
- 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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