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.

BrLu
Crystal structure of LuBr3 (hexagonal, P63/mmc (No. 194))
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for lutetium(III) bromide, aggregated across 3 databases.

Band Gap

3.07 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

11
3 databases, 5 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for LuBr3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P63/mmc (No. 194)hexagonal3.070.0000-4.5734.26
C2/m (No. 12)Monoclinic10.42
C2/m (No. 12)Monoclinic5.27
P4/mmm (No. 123)Tetragonal7.01
P63/mmc (No. 194)
Cm (No. 8)Monoclinic8.02
Cm (No. 8)Monoclinic5.31
Cm (No. 8)Monoclinic5.95
Pmmm (No. 47)Orthorhombic10.74
Pmmm (No. 47)Orthorhombic5.12
Pmmm (No. 47)Orthorhombic7.04
Uses

Applications

Where lutetium(III) bromide is used.

Scintillation detectorsRadiation sensingOptical imaging materials
Reference

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.

More questions
What is LuBr3 used for?
lutetium(III) bromide (LuBr3) is used in scintillation detectors, radiation sensing, and optical imaging materials.
What is the band gap of LuBr3?
lutetium(III) bromide (LuBr3) has a DFT-computed band gap of 3.07 eV across 11 reported structures.
Is LuBr3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.07 eV it is an insulator / wide-band-gap material.
Is LuBr3 thermodynamically stable?
Yes — lutetium(III) bromide (LuBr3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LuBr3?
The lowest-energy reported polymorph of lutetium(III) bromide (LuBr3) is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of LuBr3?
The computed density of the ground-state structure of lutetium(III) bromide (LuBr3) is 4.26 g/cm³.
How many polymorphs of LuBr3 are known?
11 structures of LuBr3 are reported across 3 databases, spanning 5 distinct space groups.
What elements does LuBr3 contain?
lutetium(III) bromide (LuBr3) contains Br and Lu (2 elements).
Where does the data for LuBr3 come from?
LuBr3 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

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
  • 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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