Hg2Rb12Se8
Hg2Rb12Se8 is a stable semiconducting compound containing mercury, rubidium, and selenium.
About Hg2Rb12Se8
Hg2Rb12Se8 is a complex ternary chalcogenide composed of mercury, rubidium, and selenium. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within its chemical system.
This material exhibits semiconducting electronic properties, making it an interesting subject for investigations into the transport characteristics of mercury-based selenides. Its existence across multiple structural databases highlights its significance in the study of alkali-metal mercury chalcogenides.
Key Properties
Cross-validated computational properties for Hg2Rb12Se8, 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 Hg2Rb12Se8, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 1.34 | 0.0000 | -2.978 | 4.09 |
| — | — | — | — | — | 3.43 |
| P63mc (No. 186) | — | — | — | — | — |
Applications
Where Hg2Rb12Se8 is used.
Frequently Asked Questions
Common questions about Hg2Rb12Se8, answered from cross-validated data.
What is Hg2Rb12Se8?
Hg2Rb12Se8 is a stable semiconducting compound containing mercury, rubidium, and selenium.
What is Hg2Rb12Se8 used for?
What is the band gap of Hg2Rb12Se8?
Is Hg2Rb12Se8 a metal, semiconductor, or insulator?
Is Hg2Rb12Se8 thermodynamically stable?
What is the crystal structure of Hg2Rb12Se8?
What is the density of Hg2Rb12Se8?
How many polymorphs of Hg2Rb12Se8 are known?
What elements does Hg2Rb12Se8 contain?
Where does the data for Hg2Rb12Se8 come from?
How It Compares
As a unique ternary phase, Hg2Rb12Se8 serves as a representative example of how heavy metal and alkali metal combinations can form stable, semiconducting architectures in the absence of more common structural motifs found in simpler binary systems.
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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