PtS2
platinum disulfide · platinum(IV) sulfide
Platinum disulfide is a stable, semiconducting inorganic compound composed of platinum and sulfur that is primarily investigated for its potential in advanced electronics.
About platinum disulfide
Platinum disulfide is a thermodynamically stable compound that crystallizes in a layered structure typical of transition metal dichalcogenides. Its semiconducting electronic character makes it an intriguing candidate for next-generation electronic and optoelectronic devices, where precise control over charge carrier behavior is essential.
Due to its high structural stability and well-defined electronic properties, this material has garnered significant interest in materials science research. It serves as a robust platform for investigating low-dimensional physics and surface-sensitive chemical processes in thin-film architectures.
Key Properties
Cross-validated computational properties for platinum disulfide, 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 PtS2. 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 PtS2, 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. |
|---|---|---|---|---|---|
| — | — | 1.76 | 0.0000 | -0.544 | — |
| P-3m1 (No. 164) | trigonal | 1.44 | 0.0000 | -22.959 | 7.05 |
| P-3m1 (No. 164) | trigonal | 0.72 | 0.0000 | -0.415 | — |
| — | — | 1.20 | 0.0004 | -0.544 | — |
| — | — | 1.28 | 0.0020 | -0.542 | — |
| — | — | 0.00 | 0.0025 | -0.542 | — |
| — | — | 1.21 | 0.0034 | -0.541 | — |
| — | — | 0.64 | 0.0155 | -0.529 | — |
| — | — | 0.00 | 0.0472 | -0.497 | — |
| — | — | 0.00 | 0.0475 | -0.497 | — |
| — | — | 0.00 | 0.0899 | -0.455 | — |
| — | — | 0.00 | 0.2419 | -0.303 | — |
Applications
Where platinum disulfide is used.
Frequently Asked Questions
Common questions about platinum disulfide, answered from cross-validated data.
What is PtS2?
Platinum disulfide is a stable, semiconducting inorganic compound composed of platinum and sulfur that is primarily investigated for its potential in advanced electronics.
What is PtS2 used for?
What is the band gap of PtS2?
Is PtS2 a metal, semiconductor, or insulator?
Is PtS2 thermodynamically stable?
What is the crystal structure of PtS2?
What is the density of PtS2?
How many polymorphs of PtS2 are known?
What elements does PtS2 contain?
Where does the data for PtS2 come from?
How It Compares
As a stable semiconducting member of the transition metal dichalcogenide family, platinum disulfide occupies a distinct niche where its heavy metal component contributes to unique electronic band structures compared to more common group-six dichalcogenides.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
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