Cu4Hg2Se8Si2
Cu4Hg2Se8Si2 is a thermodynamically stable, semimetallic quaternary compound composed of copper, mercury, selenium, and silicon.
About Cu4Hg2Se8Si2
Cu4Hg2Se8Si2 is a complex quaternary chalcogenide that stands out for its thermodynamic stability. As a material positioned on the convex hull, it represents a robust structural arrangement of copper, mercury, selenium, and silicon atoms that maintains integrity under standard conditions. Its electronic character is defined as near-zero-gap, placing it in the intriguing regime of semimetallic behavior where valence and conduction bands meet or overlap slightly. This electronic profile makes it a subject of interest for fundamental studies in condensed matter physics and specialized electronic applications. By bridging the gap between traditional semiconductors and metallic conductors, this compound offers a unique platform for exploring charge carrier dynamics in multi-element systems. Its existence within multiple structural databases underscores its significance as a well-defined, reproducible phase in the broader landscape of inorganic chemistry.
Key Properties
Cross-validated computational properties for Cu4Hg2Se8Si2, 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 Cu4Hg2Se8Si2, 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 | 0.02 | 0.0000 | -4.002 | 6.02 |
| — | — | — | — | — | 4.47 |
| Pmn21 (No. 31) | — | — | — | — | — |
Applications
Where Cu4Hg2Se8Si2 is used.
Frequently Asked Questions
Common questions about Cu4Hg2Se8Si2, answered from cross-validated data.
What is Cu4Hg2Se8Si2?
Cu4Hg2Se8Si2 is a thermodynamically stable, semimetallic quaternary compound composed of copper, mercury, selenium, and silicon.
What is Cu4Hg2Se8Si2 used for?
What is the band gap of Cu4Hg2Se8Si2?
Is Cu4Hg2Se8Si2 a metal, semiconductor, or insulator?
Is Cu4Hg2Se8Si2 thermodynamically stable?
What is the crystal structure of Cu4Hg2Se8Si2?
What is the density of Cu4Hg2Se8Si2?
How many polymorphs of Cu4Hg2Se8Si2 are known?
What elements does Cu4Hg2Se8Si2 contain?
Where does the data for Cu4Hg2Se8Si2 come from?
How It Compares
As a specialized quaternary compound, Cu4Hg2Se8Si2 occupies a distinct niche in materials science. Unlike simpler binary or ternary chalcogenides that often exhibit clear insulating or semiconducting gaps, this compound leverages its complex stoichiometry to achieve a semimetallic state, providing a unique electronic architecture that is not commonly found in more basic material classes.
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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