Br8K4Zn2
Br8K4Zn2 is a stable, wide-band-gap insulating inorganic compound composed of potassium, zinc, and bromine.
About Br8K4Zn2
Br8K4Zn2 is a complex inorganic compound composed of bromine, potassium, and zinc. As a thermodynamically stable material located on the convex hull, it exhibits robust structural integrity, making it a reliable candidate for fundamental research into halide-based solid-state chemistry.
Characterized by its wide-band-gap insulating nature, this material is of significant interest for applications requiring electrical isolation. Its presence across multiple structural databases highlights its versatility and the ongoing scientific interest in its unique atomic arrangement.
Key Properties
Cross-validated computational properties for Br8K4Zn2, 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.
Reported Structures
Lowest-energy structures reported for Br8K4Zn2, 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. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 3.68 | 0.0000 | -3.162 | 3.28 |
| P21/m (No. 11) | monoclinic | 3.66 | 0.0011 | -3.161 | 3.30 |
| — | — | — | — | — | 3.60 |
| P21/m (No. 11) | — | — | — | — | — |
| P21 (No. 4) | — | — | — | — | — |
| P21 (No. 4) | — | — | — | — | — |
| P21 (No. 4) | — | — | — | — | — |
| P21/m (No. 11) | — | — | — | — | — |
| P21/m (No. 11) | — | — | — | — | — |
| — | — | — | — | — | 3.09 |
Applications
Where Br8K4Zn2 is used.
Frequently Asked Questions
Common questions about Br8K4Zn2, answered from cross-validated data.
What is Br8K4Zn2?
Br8K4Zn2 is a stable, wide-band-gap insulating inorganic compound composed of potassium, zinc, and bromine.
What is Br8K4Zn2 used for?
What is the band gap of Br8K4Zn2?
Is Br8K4Zn2 a metal, semiconductor, or insulator?
Is Br8K4Zn2 thermodynamically stable?
What is the crystal structure of Br8K4Zn2?
What is the density of Br8K4Zn2?
How many polymorphs of Br8K4Zn2 are known?
What elements does Br8K4Zn2 contain?
Where does the data for Br8K4Zn2 come from?
How It Compares
As a distinct inorganic compound, Br8K4Zn2 serves as a foundational example of stable halide-based materials. While it currently stands as a unique entry in its class, its thermodynamic stability and insulating electronic profile provide a critical benchmark for evaluating other complex metal-halide frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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