Rb4S6Si2
Rb4S6Si2 is a stable, semiconducting inorganic compound containing rubidium, sulfur, and silicon.
About Rb4S6Si2
Rb4S6Si2 is a complex ternary sulfide composed of rubidium, sulfur, and silicon. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement within its chemical system.
This material exhibits semiconducting electronic character, making it a subject of interest for researchers exploring new functional inorganic semiconductors. Its structural integrity suggests potential for specialized applications where stable, non-metallic electronic behavior is required.
Key Properties
Cross-validated computational properties for Rb4S6Si2, aggregated across 4 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 Rb4S6Si2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 2.83 | 0.0000 | -4.676 | 2.72 |
| C2/m (No. 12) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.69 |
| — | — | — | — | — | 2.61 |
Frequently Asked Questions
Common questions about Rb4S6Si2, answered from cross-validated data.
What is Rb4S6Si2?
Rb4S6Si2 is a stable, semiconducting inorganic compound containing rubidium, sulfur, and silicon.
What is the band gap of Rb4S6Si2?
Is Rb4S6Si2 a metal, semiconductor, or insulator?
Is Rb4S6Si2 thermodynamically stable?
What is the crystal structure of Rb4S6Si2?
What is the density of Rb4S6Si2?
How many polymorphs of Rb4S6Si2 are known?
What elements does Rb4S6Si2 contain?
Where does the data for Rb4S6Si2 come from?
How It Compares
As a unique ternary compound within this specific chemical space, Rb4S6Si2 serves as a foundational reference point for understanding how rubidium-silicon-sulfur interactions influence electronic properties in the absence of other closely related stable phases.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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