Cr2Hg10O10S4
Cr2Hg10O10S4 is a complex, semiconducting quaternary compound composed of chromium, mercury, oxygen, and sulfur that is likely thermodynamically unstable.
About Cr2Hg10O10S4
Cr2Hg10O10S4 is a complex quaternary compound containing chromium, mercury, oxygen, and sulfur. As a semiconducting material, it represents a specialized chemical system that has been identified through multiple structural studies across various databases. Its electronic nature suggests potential utility in niche optoelectronic or sensing applications where specific band characteristics are required. The compound is characterized by its position above the thermodynamic hull, indicating it is likely an unstable phase under ambient conditions. This status highlights the synthetic challenges associated with such complex mercury-based chalcogenide-oxide frameworks and underscores its interest as a subject of fundamental materials research.
Key Properties
Cross-validated computational properties for Cr2Hg10O10S4, 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 Cr2Hg10O10S4, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.72 | 0.2949 | -4.280 | 7.35 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cr2Hg10O10S4, answered from cross-validated data.
What is Cr2Hg10O10S4?
Cr2Hg10O10S4 is a complex, semiconducting quaternary compound composed of chromium, mercury, oxygen, and sulfur that is likely thermodynamically unstable.
What is the band gap of Cr2Hg10O10S4?
Is Cr2Hg10O10S4 a metal, semiconductor, or insulator?
Is Cr2Hg10O10S4 thermodynamically stable?
What is the crystal structure of Cr2Hg10O10S4?
What is the density of Cr2Hg10O10S4?
How many polymorphs of Cr2Hg10O10S4 are known?
What elements does Cr2Hg10O10S4 contain?
Where does the data for Cr2Hg10O10S4 come from?
How It Compares
As a unique quaternary phase, Cr2Hg10O10S4 occupies a distinct space in materials science, serving as a representative example of the complex structural diversity found in mercury-containing inorganic systems.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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