RbCu3S2
RbCu3S2 is a semiconducting ternary sulfide compound that is theoretically stable enough to be synthesized for material science research.
About RbCu3S2
RbCu3S2 is a ternary sulfide compound composed of rubidium, copper, and sulfur. As a semiconducting material, it occupies a unique position in solid-state chemistry, characterized by its electronic properties that bridge the gap between metallic and insulating behaviors.
The compound is considered to be near the thermodynamic hull, suggesting that it is likely synthesizable under appropriate laboratory conditions. Its structural configuration and elemental composition make it an interesting subject for researchers investigating new chalcogenide materials for potential electronic or optoelectronic applications.
Key Properties
Cross-validated computational properties for RbCu3S2, 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 RbCu3S2, 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 | 0.47 | 0.0065 | -4.207 | 5.08 |
| No. 0 | unknown | — | — | — | 1.25 |
| P1 (No. 1) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where RbCu3S2 is used.
Frequently Asked Questions
Common questions about RbCu3S2, answered from cross-validated data.
What is RbCu3S2?
RbCu3S2 is a semiconducting ternary sulfide compound that is theoretically stable enough to be synthesized for material science research.
What is RbCu3S2 used for?
What is the band gap of RbCu3S2?
Is RbCu3S2 a metal, semiconductor, or insulator?
Is RbCu3S2 thermodynamically stable?
What is the crystal structure of RbCu3S2?
What is the density of RbCu3S2?
How many polymorphs of RbCu3S2 are known?
What elements does RbCu3S2 contain?
Where does the data for RbCu3S2 come from?
How It Compares
As a member of the ternary sulfide family, RbCu3S2 represents a distinct structural arrangement of copper and sulfur polyhedra stabilized by rubidium cations. While it currently stands as a unique entry in this specific compositional space, its behavior as a semiconductor provides a foundation for exploring the broader electronic trends found in alkali-metal copper sulfides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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