Rb2PtS2
Rb2PtS2 is a thermodynamically stable semiconducting ternary sulfide containing rubidium, platinum, and sulfur.
About Rb2PtS2
Rb2PtS2 is a ternary sulfide compound composed of rubidium, platinum, and sulfur. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its chemical system, characterized by its distinct semiconducting electronic nature.
The structural diversity of this compound is evidenced by multiple reported configurations across research databases. Its stability and electronic properties make it a subject of interest for fundamental materials research into chalcogenide-based semiconductors.
Key Properties
Cross-validated computational properties for Rb2PtS2, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Rb2PtS2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Rb2PtS2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 1.28 | 0.0000 | -1.054 | — |
| — | — | 1.27 | 0.0000 | -1.026 | — |
| Immm (No. 71) | orthorhombic | 1.22 | 0.0000 | -4.362 | 5.41 |
| Immm (No. 71) | orthorhombic | — | — | — | 5.42 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.36 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.16 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.64 |
Applications
Where Rb2PtS2 is used.
Frequently Asked Questions
Common questions about Rb2PtS2, answered from cross-validated data.
What is Rb2PtS2?
Rb2PtS2 is a thermodynamically stable semiconducting ternary sulfide containing rubidium, platinum, and sulfur.
What is Rb2PtS2 used for?
What is the band gap of Rb2PtS2?
Is Rb2PtS2 a metal, semiconductor, or insulator?
Is Rb2PtS2 thermodynamically stable?
What is the crystal structure of Rb2PtS2?
How many polymorphs of Rb2PtS2 are known?
What elements does Rb2PtS2 contain?
Where does the data for Rb2PtS2 come from?
How It Compares
As a unique ternary sulfide, Rb2PtS2 serves as a foundational example of platinum-based chalcogenide chemistry. Within its class of related ternary systems, it is notable for its thermodynamic stability, which distinguishes it from more metastable phases that may require specific synthesis conditions to isolate.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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