LaBr3
Lanthanum tribromide · Lanthanum bromide
Lanthanum tribromide is a stable semiconducting halide compound frequently utilized in high-sensitivity radiation detection systems.
About Lanthanum tribromide
Lanthanum tribromide is a stable inorganic halide that functions as a semiconductor. Its structural integrity and electronic properties make it a vital material for advanced sensing applications where high sensitivity and reliability are required.
Due to its position on the convex hull, this compound exhibits excellent thermodynamic stability. It is widely recognized for its role in specialized optical and electronic components that rely on efficient charge carrier behavior.
Key Properties
Cross-validated computational properties for Lanthanum tribromide, 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 LaBr3. 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 LaBr3, 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. |
|---|---|---|---|---|---|
| P63/m (No. 176) | hexagonal | 2.99 | 0.0000 | -2.154 | — |
| P63/m (No. 176) | hexagonal | 2.99 | 0.0000 | -2.154 | — |
| P63/m (No. 176) | hexagonal | 2.93 | 0.0000 | -4.885 | 4.96 |
| — | — | 3.10 | 0.0000 | -2.258 | — |
| — | — | 2.95 | 0.0018 | -2.256 | — |
| — | — | 3.83 | 0.0294 | -2.229 | — |
| Cm (No. 8) | monoclinic | 2.77 | 0.2087 | -1.946 | — |
| C2/m (No. 12) | monoclinic | 2.72 | 0.2350 | -1.919 | — |
| — | — | 2.19 | 0.3247 | -1.934 | — |
| P-6m2 (No. 187) | hexagonal | 2.22 | 0.3874 | -1.767 | — |
| — | — | 1.94 | 0.3953 | -1.863 | — |
| — | — | 1.94 | 0.4140 | -1.844 | — |
Applications
Where Lanthanum tribromide is used.
Frequently Asked Questions
Common questions about Lanthanum tribromide, answered from cross-validated data.
What is LaBr3?
Lanthanum tribromide is a stable semiconducting halide compound frequently utilized in high-sensitivity radiation detection systems.
What is LaBr3 used for?
What is the band gap of LaBr3?
Is LaBr3 a metal, semiconductor, or insulator?
Is LaBr3 thermodynamically stable?
What is the crystal structure of LaBr3?
How many polymorphs of LaBr3 are known?
What elements does LaBr3 contain?
Where does the data for LaBr3 come from?
How It Compares
As a prominent halide, Lanthanum tribromide serves as a benchmark for stability and performance within its chemical family, providing a robust platform for research into high-efficiency detection materials.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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