Hg4Rb4Sb4Se12
Hg4Rb4Sb4Se12 is a thermodynamically stable quaternary semiconducting compound composed of mercury, rubidium, antimony, and selenium.
About Hg4Rb4Sb4Se12
Hg4Rb4Sb4Se12 is a complex quaternary chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of mercury, rubidium, antimony, and selenium atoms.
This material is of significant interest in solid-state chemistry due to its unique combination of heavy metal and alkali components. Its stability suggests potential for synthesis and application in specialized electronic or optoelectronic devices where specific semiconducting properties are required.
Key Properties
Cross-validated computational properties for Hg4Rb4Sb4Se12, 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 Hg4Rb4Sb4Se12, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.07 | 0.0000 | -3.418 | 5.50 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.45 |
Applications
Where Hg4Rb4Sb4Se12 is used.
Frequently Asked Questions
Common questions about Hg4Rb4Sb4Se12, answered from cross-validated data.
What is Hg4Rb4Sb4Se12?
Hg4Rb4Sb4Se12 is a thermodynamically stable quaternary semiconducting compound composed of mercury, rubidium, antimony, and selenium.
What is Hg4Rb4Sb4Se12 used for?
What is the band gap of Hg4Rb4Sb4Se12?
Is Hg4Rb4Sb4Se12 a metal, semiconductor, or insulator?
Is Hg4Rb4Sb4Se12 thermodynamically stable?
What is the crystal structure of Hg4Rb4Sb4Se12?
What is the density of Hg4Rb4Sb4Se12?
How many polymorphs of Hg4Rb4Sb4Se12 are known?
What elements does Hg4Rb4Sb4Se12 contain?
Where does the data for Hg4Rb4Sb4Se12 come from?
How It Compares
As a quaternary chalcogenide, Hg4Rb4Sb4Se12 serves as a distinct example of complex structural chemistry within its class. While many similar compounds are often metastable, this material stands out for its thermodynamic stability, making it a reliable subject for fundamental studies into the interplay between its constituent elements.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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