USeO6
USeO6 is a stable, semiconducting uranium oxoselenate compound characterized by its diverse structural arrangements.
About USeO6
USeO6 is a complex inorganic compound composed of uranium, selenium, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration within its chemical system, drawing significant interest for fundamental materials research.
Exhibiting semiconducting electronic characteristics, this material is a subject of ongoing investigation regarding its structural properties. With multiple reported structures across databases, it serves as a key reference point for understanding the coordination chemistry of uranium-based oxoselenates.
Key Properties
Cross-validated computational properties for USeO6, 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 USeO6. 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 USeO6, 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. |
|---|---|---|---|---|---|
| — | — | 3.28 | 0.0000 | -2.043 | — |
| P21/c (No. 14) | monoclinic | 2.02 | 0.0000 | -7.888 | 5.54 |
| P21/c (No. 14) | monoclinic | 2.25 | 0.0321 | -1.871 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 5.64 |
| P21/c (No. 14) | monoclinic | — | — | — | 5.24 |
| P21/c (No. 14) | monoclinic | — | — | — | 5.56 |
| P21/c (No. 14) | monoclinic | — | — | — | 5.35 |
Applications
Where USeO6 is used.
Frequently Asked Questions
Common questions about USeO6, answered from cross-validated data.
What is USeO6?
USeO6 is a stable, semiconducting uranium oxoselenate compound characterized by its diverse structural arrangements.
What is USeO6 used for?
What is the band gap of USeO6?
Is USeO6 a metal, semiconductor, or insulator?
Is USeO6 thermodynamically stable?
What is the crystal structure of USeO6?
What is the density of USeO6?
How many polymorphs of USeO6 are known?
What elements does USeO6 contain?
Where does the data for USeO6 come from?
How It Compares
As a unique member of its chemical family, USeO6 stands out for its thermodynamic stability and structural complexity, serving as a primary example of how uranium and selenium can integrate into a stable oxide framework.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
Analyze USeO6 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →