Cl16Ru2S6
Cl16Ru2S6 is a thermodynamically stable, semiconducting inorganic compound containing ruthenium, sulfur, and chlorine.
About Cl16Ru2S6
Cl16Ru2S6 is a complex inorganic compound composed of chlorine, ruthenium, and sulfur. As a thermodynamically stable material residing on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions.
This material exhibits semiconducting electronic character, making it an interesting candidate for electronic and optoelectronic research. Its existence across multiple structural databases highlights its significance as a well-defined phase within the broader landscape of ruthenium-based chalcogenide-halides.
Key Properties
Cross-validated computational properties for Cl16Ru2S6, 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 Cl16Ru2S6, 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 | 1.86 | 0.0000 | -3.762 | 2.56 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 1.63 |
Applications
Where Cl16Ru2S6 is used.
Frequently Asked Questions
Common questions about Cl16Ru2S6, answered from cross-validated data.
What is Cl16Ru2S6?
Cl16Ru2S6 is a thermodynamically stable, semiconducting inorganic compound containing ruthenium, sulfur, and chlorine.
What is Cl16Ru2S6 used for?
What is the band gap of Cl16Ru2S6?
Is Cl16Ru2S6 a metal, semiconductor, or insulator?
Is Cl16Ru2S6 thermodynamically stable?
What is the crystal structure of Cl16Ru2S6?
What is the density of Cl16Ru2S6?
How many polymorphs of Cl16Ru2S6 are known?
What elements does Cl16Ru2S6 contain?
Where does the data for Cl16Ru2S6 come from?
How It Compares
As a unique inorganic phase, Cl16Ru2S6 serves as a specialized example of how ruthenium can coordinate with both sulfur and chlorine to form stable, semiconducting frameworks. While it does not belong to a common, broad class of materials, it stands as a distinct structural entity that demonstrates the chemical versatility of transition metal halides in complex lattice arrangements.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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