LuBr3
lutetium(III) bromide · lutetium tribromide
Lutetium(III) bromide is a stable, insulating rare-earth halide frequently employed in high-sensitivity radiation detection and scintillation applications.
About lutetium(III) bromide
Lutetium(III) bromide is a thermodynamically stable inorganic halide characterized by its wide-band-gap insulating electronic structure. Its robust stability makes it a reliable candidate for high-performance materials science research where electronic precision is required.
Due to its unique electronic properties, this compound is primarily utilized in the development of sophisticated scintillation detectors. It serves as a critical component in radiation detection systems, leveraging its insulating nature to facilitate efficient light output in imaging and sensing technologies.
Key Properties
Cross-validated computational properties for lutetium(III) bromide, 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 LuBr3. 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 LuBr3, 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. |
|---|---|---|---|---|---|
| — | — | 3.75 | 0.0000 | -2.068 | — |
| P63/mmc (No. 194) | hexagonal | 3.07 | 0.0000 | -4.573 | 4.26 |
| P63/mmc (No. 194) | hexagonal | 2.69 | 0.0000 | -1.804 | — |
| — | — | 1.63 | 0.0261 | -2.042 | — |
| — | — | 1.93 | 0.1610 | -1.907 | — |
| — | — | 1.21 | 0.7489 | -1.319 | — |
| — | — | 1.95 | 0.7522 | -1.316 | — |
| — | — | 0.00 | 0.9865 | -1.081 | — |
| Pmmm (No. 47) | orthorhombic | — | — | — | 7.04 |
| Pmmm (No. 47) | orthorhombic | — | — | — | 10.74 |
| Cm (No. 8) | monoclinic | — | — | — | 5.31 |
| Cm (No. 8) | monoclinic | — | — | — | 8.02 |
Applications
Where lutetium(III) bromide is used.
Frequently Asked Questions
Common questions about lutetium(III) bromide, answered from cross-validated data.
What is LuBr3?
Lutetium(III) bromide is a stable, insulating rare-earth halide frequently employed in high-sensitivity radiation detection and scintillation applications.
What is LuBr3 used for?
What is the band gap of LuBr3?
Is LuBr3 a metal, semiconductor, or insulator?
Is LuBr3 thermodynamically stable?
What is the crystal structure of LuBr3?
What is the density of LuBr3?
How many polymorphs of LuBr3 are known?
What elements does LuBr3 contain?
Where does the data for LuBr3 come from?
How It Compares
As a distinct member of the rare-earth halide family, lutetium(III) bromide stands out for its structural versatility, supported by a significant number of reported crystal structures. It represents a highly stable, well-characterized material that serves as a benchmark for performance in insulating halide applications.
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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