BeBr2
Beryllium bromide · beryllium dibromide
Beryllium bromide is a chemical compound composed of beryllium and bromine that typically appears as a white, hygroscopic solid. It is primarily used as a reagent in specialized chemical synthesis and research applications.
BeBr
Overview
Key Properties
Cross-validated computational properties for Beryllium bromide, aggregated across 4 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.
5.18 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)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
62
4 databases, 17 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for BeBr2, 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. |
|---|---|---|---|---|---|
| Ibam (No. 72) | orthorhombic | 5.18 | 0.0000 | -3.737 | 3.33 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.34 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.28 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.86 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.02 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.05 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 7.19 |
| P2 (No. 3) | Monoclinic | — | — | — | 5.40 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.68 |
| C2 (No. 5) | Monoclinic | — | — | — | 5.31 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.32 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.38 |
Uses
Applications
Where Beryllium bromide is used.
chemical synthesiscatalysis researchlaboratory reagent
Reference
Frequently Asked Questions
Common questions about Beryllium bromide, answered from cross-validated data.
What is BeBr2?
Beryllium bromide is a chemical compound composed of beryllium and bromine that typically appears as a white, hygroscopic solid. It is primarily used as a reagent in specialized chemical synthesis and research applications.
More questions
What is BeBr2 used for?
Beryllium bromide (BeBr2) is used in chemical synthesis, catalysis research, and laboratory reagent.
What is the band gap of BeBr2?
Beryllium bromide (BeBr2) has a DFT-computed band gap of 5.18 eV across 62 reported structures.
Is BeBr2 a metal, semiconductor, or insulator?
With a wide band gap up to 5.18 eV it is an insulator / wide-band-gap material.
Is BeBr2 thermodynamically stable?
Yes — Beryllium bromide (BeBr2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of BeBr2?
The lowest-energy reported polymorph of Beryllium bromide (BeBr2) is orthorhombic symmetry, space group Ibam (No. 72).
What is the density of BeBr2?
The computed density of the ground-state structure of Beryllium bromide (BeBr2) is 3.33 g/cm³.
How many polymorphs of BeBr2 are known?
62 structures of BeBr2 are reported across 4 databases, spanning 17 distinct space groups.
What elements does BeBr2 contain?
Beryllium bromide (BeBr2) contains Be and Br (2 elements).
Where does the data for BeBr2 come from?
BeBr2 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).
Analyze BeBr2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →