Br4Cu4Hg4Se4
Br4Cu4Hg4Se4 is a semiconducting quaternary compound containing copper, mercury, selenium, and bromine that is considered a viable candidate for experimental synthesis.
About Br4Cu4Hg4Se4
Br4Cu4Hg4Se4 is a complex quaternary compound composed of bromine, copper, mercury, and selenium. Its electronic character identifies it as a semiconductor, positioning it as a candidate for specialized optoelectronic applications where precise band engineering is required. The material exhibits a structure that is thermodynamically near the hull, suggesting it is a viable target for experimental synthesis and characterization. Given the presence of multiple structural reports across databases, it remains a subject of interest for researchers investigating the interplay between halide and chalcogenide frameworks in solid-state chemistry.
Key Properties
Cross-validated computational properties for Br4Cu4Hg4Se4, 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 Br4Cu4Hg4Se4, 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. |
|---|---|---|---|---|---|
| Pmma (No. 51) | orthorhombic | 0.47 | 0.0097 | -2.917 | 6.41 |
| — | — | — | — | — | 6.39 |
| Pmma (No. 51) | — | — | — | — | — |
| — | — | — | — | — | 5.69 |
Applications
Where Br4Cu4Hg4Se4 is used.
Frequently Asked Questions
Common questions about Br4Cu4Hg4Se4, answered from cross-validated data.
What is Br4Cu4Hg4Se4?
Br4Cu4Hg4Se4 is a semiconducting quaternary compound containing copper, mercury, selenium, and bromine that is considered a viable candidate for experimental synthesis.
What is Br4Cu4Hg4Se4 used for?
What is the band gap of Br4Cu4Hg4Se4?
Is Br4Cu4Hg4Se4 a metal, semiconductor, or insulator?
Is Br4Cu4Hg4Se4 thermodynamically stable?
What is the crystal structure of Br4Cu4Hg4Se4?
What is the density of Br4Cu4Hg4Se4?
How many polymorphs of Br4Cu4Hg4Se4 are known?
What elements does Br4Cu4Hg4Se4 contain?
Where does the data for Br4Cu4Hg4Se4 come from?
How It Compares
As a unique quaternary halide-chalcogenide, this compound occupies a specialized niche in materials science. Unlike simpler binary or ternary semiconductors, its complex stoichiometry allows for a diverse range of structural configurations, providing a distinct platform for exploring how heavy metal and halogen interactions influence electronic transport properties.
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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