RhS2
RhS2 is a metastable metallic sulfide that has been extensively documented for its diverse structural configurations.
About RhS2
RhS2 is a metallic sulfide characterized by its lack of a band gap, placing it firmly within the category of conductive inorganic materials. Despite its metastable nature, it has been the subject of significant structural investigation, as evidenced by the large body of reported crystallographic data available across multiple databases. Its electronic behavior makes it a compelling candidate for studies involving transition metal chalcogenides where metallic conductivity is a primary requirement. The compound's ability to adopt various structural configurations highlights the complexity of rhodium-sulfur bonding environments. This diversity in structural arrangements suggests that RhS2 serves as a versatile platform for exploring phase stability and the influence of synthesis conditions on material properties.
Key Properties
Cross-validated computational properties for RhS2, aggregated across 5 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 RhS2. 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 RhS2, 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. |
|---|---|---|---|---|---|
| Pa-3 (No. 205) | cubic | 0.00 | 0.0091 | -0.459 | — |
| Pa-3 (No. 205) | cubic | 0.00 | 0.0091 | -0.459 | — |
| Pa-3 (No. 205) | cubic | 0.00 | 0.0448 | -13.866 | 5.90 |
| — | — | 0.00 | 0.0461 | -0.569 | — |
| — | — | 0.00 | 0.0463 | -0.568 | — |
| — | — | 0.00 | 0.0463 | -0.568 | — |
| — | — | 0.00 | 0.1125 | -0.502 | — |
| — | — | 0.00 | 0.1460 | -0.469 | — |
| — | — | 0.00 | 0.2003 | -0.414 | — |
| — | — | 0.00 | 0.3361 | -0.279 | — |
| — | — | 0.00 | 0.3751 | -0.240 | — |
| — | — | 0.00 | 0.3800 | -0.235 | — |
Applications
Where RhS2 is used.
Frequently Asked Questions
Common questions about RhS2, answered from cross-validated data.
What is RhS2?
RhS2 is a metastable metallic sulfide that has been extensively documented for its diverse structural configurations.
What is RhS2 used for?
What is the band gap of RhS2?
Is RhS2 a metal, semiconductor, or insulator?
Is RhS2 thermodynamically stable?
What is the crystal structure of RhS2?
How many polymorphs of RhS2 are known?
What elements does RhS2 contain?
Where does the data for RhS2 come from?
How It Compares
As a standalone entry in this context, RhS2 represents a distinct case study in metallic transition metal sulfides. Unlike more common, highly stable sulfides, its metastable status positions it as a unique material for fundamental research into structural polymorphism and the limits of phase persistence in inorganic compounds.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze RhS2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →