KUO3
KUO3 is a thermodynamically stable semiconducting ternary oxide containing potassium, uranium, and oxygen.
About KUO3
KUO3 is a ternary oxide composed of potassium, uranium, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that is of significant interest for fundamental solid-state chemistry studies.
The material exhibits semiconducting electronic behavior, which distinguishes it from more common metallic or insulating uranium oxides. Its structural diversity, evidenced by multiple reported configurations, makes it a subject of ongoing investigation for its unique electronic and chemical properties.
Key Properties
Cross-validated computational properties for KUO3, 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 KUO3. 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 KUO3, 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. |
|---|---|---|---|---|---|
| — | — | 3.20 | 0.0000 | -3.140 | — |
| Pm-3m (No. 221) | cubic | 0.52 | 0.0000 | -3.159 | — |
| Pm-3m (No. 221) | cubic | 0.44 | 0.0000 | -8.788 | 6.80 |
| — | — | 3.16 | 0.0013 | -3.138 | — |
| — | — | 3.18 | 0.0014 | -3.138 | — |
| — | — | 3.00 | 0.0025 | -3.137 | — |
| — | — | 3.01 | 0.0676 | -3.072 | — |
| — | — | 2.30 | 0.2699 | -2.870 | — |
| — | — | 1.23 | 0.7651 | -2.375 | — |
| — | — | 2.08 | 0.7981 | -2.342 | — |
| — | — | 0.00 | 1.5857 | -1.554 | — |
| — | — | 0.00 | 2.3082 | -0.832 | — |
Frequently Asked Questions
Common questions about KUO3, answered from cross-validated data.
What is KUO3?
KUO3 is a thermodynamically stable semiconducting ternary oxide containing potassium, uranium, and oxygen.
What is the band gap of KUO3?
Is KUO3 a metal, semiconductor, or insulator?
Is KUO3 thermodynamically stable?
What is the crystal structure of KUO3?
How many polymorphs of KUO3 are known?
What elements does KUO3 contain?
Where does the data for KUO3 come from?
How It Compares
As a distinct ternary uranium oxide, KUO3 serves as a foundational example of stable potassium-based actinide compounds. It occupies a unique position in the landscape of uranium-bearing oxides, providing a benchmark for understanding how alkali metal incorporation influences electronic behavior in complex oxide systems.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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