K4UO5
K4UO5 is a stable, semiconducting inorganic compound composed of potassium, uranium, and oxygen.
About K4UO5
K4UO5 is a distinct potassium-based uranate that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a well-defined inorganic compound with multiple documented structural configurations.
Its stability and electronic characteristics make it a subject of interest for researchers investigating the fundamental chemistry of uranium oxides and alkali metal coordination. The compound serves as a key reference point for understanding the complex interactions between uranium and oxygen within alkali-rich environments.
Key Properties
Cross-validated computational properties for K4UO5, 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 K4UO5. 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 K4UO5, 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. |
|---|---|---|---|---|---|
| — | — | 3.11 | 0.0000 | -2.384 | — |
| P-1 (No. 2) | triclinic | 2.27 | 0.0000 | -2.522 | — |
| P-1 (No. 2) | triclinic | 2.19 | 0.0000 | -6.685 | 4.39 |
| P-1 (No. 2) | triclinic | — | — | — | 4.21 |
| P-1 (No. 2) | triclinic | — | — | — | 4.38 |
| P-1 (No. 2) | triclinic | — | — | — | 4.29 |
Applications
Where K4UO5 is used.
Frequently Asked Questions
Common questions about K4UO5, answered from cross-validated data.
What is K4UO5?
K4UO5 is a stable, semiconducting inorganic compound composed of potassium, uranium, and oxygen.
What is K4UO5 used for?
What is the band gap of K4UO5?
Is K4UO5 a metal, semiconductor, or insulator?
Is K4UO5 thermodynamically stable?
What is the crystal structure of K4UO5?
How many polymorphs of K4UO5 are known?
What elements does K4UO5 contain?
Where does the data for K4UO5 come from?
How It Compares
As a unique member of the potassium uranate family, K4UO5 occupies a stable position within its chemical space, serving as a foundational reference for understanding the structural and electronic diversity of ternary uranium oxides.
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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