Hg2O8Se2
Hg2O8Se2 is a stable, semiconducting mercury oxyselenide compound characterized by its well-defined structural framework.
About Hg2O8Se2
Hg2O8Se2 is a complex mercury-based selenate compound that exhibits semiconducting electronic behavior. Its position on the convex hull indicates that it is a thermodynamically stable phase, making it a subject of interest for researchers investigating stable inorganic frameworks.
With multiple documented structural variations across databases, this compound represents a versatile building block in solid-state chemistry. Its specific arrangement of mercury, oxygen, and selenium atoms provides a unique platform for studying electronic transport properties in chalcogen-based systems.
Key Properties
Cross-validated computational properties for Hg2O8Se2, 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 Hg2O8Se2, 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. |
|---|---|---|---|---|---|
| Pmn21 (No. 31) | orthorhombic | 0.84 | 0.0000 | -4.898 | 6.77 |
| — | — | — | — | — | 5.02 |
| — | — | — | — | — | 4.87 |
| — | — | — | — | — | 4.32 |
| — | — | — | — | — | 5.01 |
| — | — | — | — | — | 5.88 |
| Pmn21 (No. 31) | — | — | — | — | — |
Applications
Where Hg2O8Se2 is used.
Frequently Asked Questions
Common questions about Hg2O8Se2, answered from cross-validated data.
What is Hg2O8Se2?
Hg2O8Se2 is a stable, semiconducting mercury oxyselenide compound characterized by its well-defined structural framework.
What is Hg2O8Se2 used for?
What is the band gap of Hg2O8Se2?
Is Hg2O8Se2 a metal, semiconductor, or insulator?
Is Hg2O8Se2 thermodynamically stable?
What is the crystal structure of Hg2O8Se2?
What is the density of Hg2O8Se2?
How many polymorphs of Hg2O8Se2 are known?
What elements does Hg2O8Se2 contain?
Where does the data for Hg2O8Se2 come from?
How It Compares
As a thermodynamically stable semiconducting phase, Hg2O8Se2 serves as a foundational example of mercury-based oxyselenides. Without direct siblings in this specific classification, it stands as a distinct reference point for understanding the stability and electronic behavior of complex mercury-oxygen-selenium frameworks.
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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