Br12Cu4K8
Br12Cu4K8 is a thermodynamically stable, semiconducting inorganic compound containing copper, potassium, and bromine.
About Br12Cu4K8
Br12Cu4K8 is a complex inorganic compound composed of bromine, copper, and potassium. As a thermodynamically stable material located on the convex hull, it represents a robust structural arrangement that is well-defined within the chemical landscape.
Exhibiting semiconducting electronic character, this material is of interest for researchers investigating the intersection of halide chemistry and transition metal coordination. Its existence across multiple crystallographic structures highlights its versatility and the importance of its phase stability in solid-state synthesis.
Key Properties
Cross-validated computational properties for Br12Cu4K8, 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.
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 Br12Cu4K8, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.90 | 0.0000 | -3.400 | 3.52 |
| Pnma (No. 62) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.90 |
| — | — | — | — | — | 2.83 |
Frequently Asked Questions
Common questions about Br12Cu4K8, answered from cross-validated data.
What is Br12Cu4K8?
Br12Cu4K8 is a thermodynamically stable, semiconducting inorganic compound containing copper, potassium, and bromine.
What is the band gap of Br12Cu4K8?
Is Br12Cu4K8 a metal, semiconductor, or insulator?
Is Br12Cu4K8 thermodynamically stable?
What is the crystal structure of Br12Cu4K8?
What is the density of Br12Cu4K8?
How many polymorphs of Br12Cu4K8 are known?
What elements does Br12Cu4K8 contain?
Where does the data for Br12Cu4K8 come from?
How It Compares
As a distinct inorganic phase, Br12Cu4K8 serves as a foundational example of copper-potassium-bromide chemistry, providing a stable reference point for exploring the electronic and structural behaviors of similar multinary halide systems.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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