UF5
Uranium pentafluoride · Uranium(V) fluoride
Uranium pentafluoride is a binary inorganic compound of uranium and fluorine. It is primarily studied and utilized in the context of nuclear fuel cycle chemistry and the enrichment of uranium isotopes.
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Overview
Key Properties
Cross-validated computational properties for Uranium pentafluoride, 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.
0.09–0.39 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
17
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for UF5, 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. |
|---|---|---|---|---|---|
| I4/m (No. 87) | tetragonal | 0.39 | 0.0000 | -19.705 | 6.00 |
| I-42d (No. 122) | tetragonal | 0.09 | 0.0451 | -19.659 | 5.39 |
| I-42d (No. 122) | tetragonal | 0.00 | 0.0721 | -19.632 | 6.16 |
| I4/m (No. 87) | Tetragonal | — | — | — | 5.24 |
| I4/m (No. 87) | — | — | — | — | — |
| I4/m (No. 87) | Tetragonal | — | — | — | 5.15 |
| I4/m (No. 87) | Tetragonal | — | — | — | 5.38 |
| P2/m (No. 10) | Monoclinic | — | — | — | 9.07 |
| P2/m (No. 10) | Monoclinic | — | — | — | 8.98 |
| P2/m (No. 10) | Monoclinic | — | — | — | 8.46 |
| I-42d (No. 122) | Tetragonal | — | — | — | 5.48 |
| I-42d (No. 122) | Tetragonal | — | — | — | 5.62 |
Uses
Applications
Where Uranium pentafluoride is used.
Nuclear fuel processingUranium isotope enrichment research
Reference
Frequently Asked Questions
Common questions about Uranium pentafluoride, answered from cross-validated data.
What is UF5?
Uranium pentafluoride is a binary inorganic compound of uranium and fluorine. It is primarily studied and utilized in the context of nuclear fuel cycle chemistry and the enrichment of uranium isotopes.
More questions
What is UF5 used for?
Uranium pentafluoride (UF5) is used in nuclear fuel processing and uranium isotope enrichment research.
What is the band gap of UF5?
Uranium pentafluoride (UF5) has a DFT-computed band gap of 0.09–0.39 eV across 17 reported structures.
Is UF5 a metal, semiconductor, or insulator?
With a band gap up to 0.39 eV it is a semiconductor.
Is UF5 thermodynamically stable?
Yes — Uranium pentafluoride (UF5) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of UF5?
The lowest-energy reported polymorph of Uranium pentafluoride (UF5) is tetragonal symmetry, space group I4/m (No. 87).
What is the density of UF5?
The computed density of the ground-state structure of Uranium pentafluoride (UF5) is 6.00 g/cm³.
How many polymorphs of UF5 are known?
17 structures of UF5 are reported across 3 databases, spanning 5 distinct space groups.
What elements does UF5 contain?
Uranium pentafluoride (UF5) contains F and U (2 elements).
Where does the data for UF5 come from?
UF5 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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