As16Br24Hg32
As16Br24Hg32 is a semiconducting ternary compound containing mercury, arsenic, and bromine that is theoretically predicted to be synthesizable.
About As16Br24Hg32
As16Br24Hg32 is a complex ternary compound composed of arsenic, bromine, and mercury. Its electronic character is defined as semiconducting, making it an interesting candidate for materials science research into specialized electronic components.
Because this material is positioned near the thermodynamic hull, it is considered a likely candidate for laboratory synthesis. With multiple reported structures across various databases, it represents an intriguing subject for further experimental characterization and structural analysis.
Key Properties
Cross-validated computational properties for As16Br24Hg32, 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 As16Br24Hg32, 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. |
|---|---|---|---|---|---|
| Pa-3 (No. 205) | cubic | 0.87 | 0.0087 | -2.172 | 7.16 |
| — | — | — | — | — | 7.13 |
| Pa-3 (No. 205) | — | — | — | — | — |
Applications
Where As16Br24Hg32 is used.
Frequently Asked Questions
Common questions about As16Br24Hg32, answered from cross-validated data.
What is As16Br24Hg32?
As16Br24Hg32 is a semiconducting ternary compound containing mercury, arsenic, and bromine that is theoretically predicted to be synthesizable.
What is As16Br24Hg32 used for?
What is the band gap of As16Br24Hg32?
Is As16Br24Hg32 a metal, semiconductor, or insulator?
Is As16Br24Hg32 thermodynamically stable?
What is the crystal structure of As16Br24Hg32?
What is the density of As16Br24Hg32?
How many polymorphs of As16Br24Hg32 are known?
What elements does As16Br24Hg32 contain?
Where does the data for As16Br24Hg32 come from?
How It Compares
As a unique ternary compound, As16Br24Hg32 occupies a distinct space in materials research. Without direct structural siblings in this specific class, it serves as a standalone example of how mercury-arsenic-halide chemistry can yield stable, semiconducting architectures.
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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