UBr4
uranium tetrabromide · uranium(IV) bromide
Uranium tetrabromide is a stable, semiconducting inorganic halide compound primarily used in specialized chemical synthesis and actinide research.
About uranium tetrabromide
Uranium tetrabromide is a crystalline halide compound characterized by its semiconducting electronic behavior. As a thermodynamically stable phase residing on the convex hull, it represents a well-defined state of uranium in the plus-four oxidation state. Its structural integrity makes it a subject of interest for fundamental studies in actinide materials science.
This compound is primarily utilized in advanced chemical research and as a precursor for the synthesis of organometallic uranium complexes. Its ability to participate in specific coordination environments allows researchers to probe the bonding characteristics of heavy elements within a stable inorganic framework.
Key Properties
Cross-validated computational properties for uranium tetrabromide, 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 UBr4. 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 UBr4, 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. |
|---|---|---|---|---|---|
| — | — | 0.35 | 0.0000 | -1.572 | — |
| C2/m (No. 12) | monoclinic | 0.21 | 0.0000 | -5.331 | 5.10 |
| C2/m (No. 12) | monoclinic | 0.18 | 0.0000 | -1.351 | — |
| C2/m (No. 12) | monoclinic | 0.18 | 0.0002 | -1.351 | — |
| — | — | 0.00 | 0.0377 | -1.534 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 4.87 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.85 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.81 |
Applications
Where uranium tetrabromide is used.
Frequently Asked Questions
Common questions about uranium tetrabromide, answered from cross-validated data.
What is UBr4?
Uranium tetrabromide is a stable, semiconducting inorganic halide compound primarily used in specialized chemical synthesis and actinide research.
What is UBr4 used for?
What is the band gap of UBr4?
Is UBr4 a metal, semiconductor, or insulator?
Is UBr4 thermodynamically stable?
What is the crystal structure of UBr4?
What is the density of UBr4?
How many polymorphs of UBr4 are known?
What elements does UBr4 contain?
Where does the data for UBr4 come from?
How It Compares
As a distinct actinide halide, uranium tetrabromide serves as a foundational reference point for understanding the behavior of heavy metal bromides. It occupies a unique niche in inorganic chemistry, providing a stable platform for investigating the electronic and structural trends that govern the reactivity of uranium-based compounds.
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.
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