Br48Cs16Hg16
Br48Cs16Hg16 is a semiconducting inorganic compound containing bromine, cesium, and mercury that is considered a viable candidate for synthesis.
About Br48Cs16Hg16
Br48Cs16Hg16 is a complex inorganic compound composed of bromine, cesium, and mercury. As a semiconducting material, it represents an intriguing subject for electronic property investigation within the halide framework.
This compound is identified as being near-hull, suggesting it is a thermodynamically stable candidate for laboratory synthesis. Its structural complexity and electronic profile make it a noteworthy entry for researchers exploring novel semiconducting halides.
Key Properties
Cross-validated computational properties for Br48Cs16Hg16, 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 Br48Cs16Hg16, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 1.90 | 0.0034 | -2.571 | 4.99 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0415 | -2.533 | 5.15 |
| — | — | — | — | — | 4.40 |
| No. 0 | unknown | — | — | — | 1.71 |
| — | — | — | — | — | 4.40 |
| — | — | — | — | — | 5.00 |
Applications
Where Br48Cs16Hg16 is used.
Frequently Asked Questions
Common questions about Br48Cs16Hg16, answered from cross-validated data.
What is Br48Cs16Hg16?
Br48Cs16Hg16 is a semiconducting inorganic compound containing bromine, cesium, and mercury that is considered a viable candidate for synthesis.
What is Br48Cs16Hg16 used for?
What is the band gap of Br48Cs16Hg16?
Is Br48Cs16Hg16 a metal, semiconductor, or insulator?
Is Br48Cs16Hg16 thermodynamically stable?
What is the crystal structure of Br48Cs16Hg16?
What is the density of Br48Cs16Hg16?
How many polymorphs of Br48Cs16Hg16 are known?
What elements does Br48Cs16Hg16 contain?
Where does the data for Br48Cs16Hg16 come from?
How It Compares
As a unique halide-based semiconductor, this compound serves as a specialized example of mercury-cesium chemistry. It occupies a distinct niche in materials science where the interplay between heavy metal cations and halide anions dictates its potential for future optoelectronic applications.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
Analyze Br48Cs16Hg16 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →