As8Hg16O28
As8Hg16O28 is a semiconducting mercury arsenate compound that is considered a viable candidate for laboratory synthesis.
About As8Hg16O28
As8Hg16O28 is a complex mercury-based arsenate compound characterized by its semiconducting electronic nature. Its composition suggests a delicate balance of chemical bonding that positions it as a subject of interest for structural chemistry and solid-state physics investigations.
Due to its status as a near-hull material, this compound is considered a promising candidate for experimental synthesis. Its existence across multiple structural databases highlights its significance in the ongoing effort to map the landscape of stable inorganic materials.
Key Properties
Cross-validated computational properties for As8Hg16O28, 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 As8Hg16O28, 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 | 1.13 | 0.0159 | -4.638 | 7.31 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 7.23 |
Applications
Where As8Hg16O28 is used.
Frequently Asked Questions
Common questions about As8Hg16O28, answered from cross-validated data.
What is As8Hg16O28?
As8Hg16O28 is a semiconducting mercury arsenate compound that is considered a viable candidate for laboratory synthesis.
What is As8Hg16O28 used for?
What is the band gap of As8Hg16O28?
Is As8Hg16O28 a metal, semiconductor, or insulator?
Is As8Hg16O28 thermodynamically stable?
What is the crystal structure of As8Hg16O28?
What is the density of As8Hg16O28?
How many polymorphs of As8Hg16O28 are known?
What elements does As8Hg16O28 contain?
Where does the data for As8Hg16O28 come from?
How It Compares
As an unclassified material, As8Hg16O28 serves as a unique case study in the broader field of mercury-arsenic-oxygen systems. Without direct structural siblings for comparison, it stands as a distinct example of how complex metal-oxide frameworks can exhibit semiconducting behavior while maintaining thermodynamic proximity to the stability hull.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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