Br2K2
Potassium bromide · KBr
Potassium bromide is a stable, insulating salt frequently used as a window material in infrared spectroscopy.
About Potassium bromide
Potassium bromide is a thermodynamically stable inorganic salt that functions as a wide-band-gap insulator. Its robust structural integrity and consistent electronic behavior make it a fundamental material in chemical and physical research. The compound is highly regarded for its transparency across a broad spectrum of light, which facilitates its use in precision optical components. Its stability ensures reliable performance in diverse laboratory and industrial environments.
Key Properties
Cross-validated computational properties for Potassium bromide, aggregated across 5 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.
Reported Structures
Lowest-energy structures reported for Br2K2, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 4.32 | 0.0000 | -3.402 | 2.76 |
| Pm-3m (No. 221) | cubic | 3.88 | 0.0731 | -3.329 | 2.99 |
| Cmmm (No. 65) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.69 |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| Pmmn (No. 59) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| P21/m (No. 11) | — | — | — | — | — |
Applications
Where Potassium bromide is used.
Frequently Asked Questions
Common questions about Potassium bromide, answered from cross-validated data.
What is Br2K2?
Potassium bromide is a stable, insulating salt frequently used as a window material in infrared spectroscopy.
What is Br2K2 used for?
What is the band gap of Br2K2?
Is Br2K2 a metal, semiconductor, or insulator?
Is Br2K2 thermodynamically stable?
What is the crystal structure of Br2K2?
What is the density of Br2K2?
How many polymorphs of Br2K2 are known?
What elements does Br2K2 contain?
Where does the data for Br2K2 come from?
How It Compares
As a primary halide salt, this compound serves as a cornerstone material within its chemical class, providing a benchmark for stability and optical clarity that defines the standard for similar alkali metal halides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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