FOU
FOU is a thermodynamically stable, semiconducting inorganic compound composed of fluorine, oxygen, and uranium.
About FOU
FOU is a complex inorganic compound composed of fluorine, oxygen, and uranium. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its chemical system, offering a reliable framework for studying actinide-based materials.
Exhibiting semiconducting electronic characteristics, this compound is of interest for its potential role in specialized electronic or optical applications. Its structural diversity is highlighted by multiple reported configurations, underscoring its significance in materials research.
Key Properties
Cross-validated computational properties for FOU, 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 FOU. 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 FOU, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 2.10 | 0.0000 | -8.678 | 9.34 |
| C2/m (No. 12) | monoclinic | 1.76 | 0.1382 | -8.540 | 10.55 |
| C2/m (No. 12) | monoclinic | 1.93 | 0.3220 | -8.356 | 12.95 |
| No. 0 | unknown | — | — | — | 1.89 |
| — | — | — | — | — | 9.72 |
| — | — | — | — | — | 9.72 |
Applications
Where FOU is used.
Frequently Asked Questions
Common questions about FOU, answered from cross-validated data.
What is FOU?
FOU is a thermodynamically stable, semiconducting inorganic compound composed of fluorine, oxygen, and uranium.
What is FOU used for?
What is the band gap of FOU?
Is FOU a metal, semiconductor, or insulator?
Is FOU thermodynamically stable?
What is the crystal structure of FOU?
What is the density of FOU?
How many polymorphs of FOU are known?
What elements does FOU contain?
Where does the data for FOU come from?
How It Compares
As a unique compound within its chemical system, FOU serves as a foundational reference point for understanding the interplay between uranium and chalcogen-halide environments, providing a stable baseline for future investigations into related complex phases.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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