Br12Cs4Cu4
Br12Cs4Cu4 is a stable, semiconducting inorganic halide compound containing cesium, copper, and bromine.
About Br12Cs4Cu4
Br12Cs4Cu4 is a complex halide compound composed of cesium, copper, and bromine. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its chemical system, offering a reliable structural foundation for further investigation.
The electronic character of this material is defined as semiconducting, suggesting potential utility in optoelectronic or sensing applications. Its existence across multiple reported structures highlights its significance as a well-defined crystalline phase in inorganic materials research.
Key Properties
Cross-validated computational properties for Br12Cs4Cu4, 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 Br12Cs4Cu4, 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. |
|---|---|---|---|---|---|
| C2221 (No. 20) | orthorhombic | 0.37 | 0.0000 | -3.233 | 4.62 |
| — | — | — | — | — | 3.92 |
| C2221 (No. 20) | — | — | — | — | — |
Applications
Where Br12Cs4Cu4 is used.
Frequently Asked Questions
Common questions about Br12Cs4Cu4, answered from cross-validated data.
What is Br12Cs4Cu4?
Br12Cs4Cu4 is a stable, semiconducting inorganic halide compound containing cesium, copper, and bromine.
What is Br12Cs4Cu4 used for?
What is the band gap of Br12Cs4Cu4?
Is Br12Cs4Cu4 a metal, semiconductor, or insulator?
Is Br12Cs4Cu4 thermodynamically stable?
What is the crystal structure of Br12Cs4Cu4?
What is the density of Br12Cs4Cu4?
How many polymorphs of Br12Cs4Cu4 are known?
What elements does Br12Cs4Cu4 contain?
Where does the data for Br12Cs4Cu4 come from?
How It Compares
As a unique halide phase, Br12Cs4Cu4 serves as a benchmark for stability within its specific structural family. It provides a critical reference point for understanding how copper-halide frameworks maintain thermodynamic integrity in complex multi-element systems.
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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