K2UO4
K2UO4 is a thermodynamically stable, semiconducting inorganic compound composed of potassium, uranium, and oxygen.
About K2UO4
K2UO4 is a semiconducting inorganic compound that sits firmly on the convex hull, indicating high thermodynamic stability. Its structural integrity and electronic properties make it a significant subject of study within the broader landscape of uranium-containing oxides.
Researchers value this material for its consistent phase behavior, which is supported by multiple reported structures across various databases. Its role as a stable host lattice provides a foundation for understanding complex oxide interactions in solid-state chemistry.
Key Properties
Cross-validated computational properties for K2UO4, 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 K2UO4. 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 K2UO4, 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. |
|---|---|---|---|---|---|
| — | — | 3.15 | 0.0000 | -2.756 | — |
| I4/mmm (No. 139) | tetragonal | 2.11 | 0.0000 | -2.875 | — |
| I4/mmm (No. 139) | tetragonal | 1.98 | 0.0000 | -7.824 | 5.09 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 5.12 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 5.03 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 5.17 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 4.93 |
Synthesis Routes
Literature-extracted synthesis procedures targeting K2UO4.
Applications
Where K2UO4 is used.
Frequently Asked Questions
Common questions about K2UO4, answered from cross-validated data.
What is K2UO4?
K2UO4 is a thermodynamically stable, semiconducting inorganic compound composed of potassium, uranium, and oxygen.
What is K2UO4 used for?
What is the band gap of K2UO4?
Is K2UO4 a metal, semiconductor, or insulator?
Is K2UO4 thermodynamically stable?
What is the crystal structure of K2UO4?
How many polymorphs of K2UO4 are known?
How is K2UO4 synthesized?
What elements does K2UO4 contain?
Where does the data for K2UO4 come from?
How It Compares
As a stable uranium-based oxide, K2UO4 represents a well-defined point in the phase space of ternary uranium systems, serving as a reliable reference material for researchers investigating the electronic and structural trends of similar alkali-metal uranates.
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.
Analyze K2UO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →