PtS
cooperite · platinum monosulfide
PtS is a naturally occurring, stable semiconducting mineral that serves as a vital ore for platinum extraction.
About cooperite
PtS is a naturally occurring platinum sulfide that exists as a thermodynamically stable phase on the convex hull. As a semiconducting material, it represents a significant inorganic compound within the platinum-group mineral family, characterized by its robust structural integrity and distinct electronic properties.
Its importance stems from its status as a primary mineral source of platinum in geological deposits. With an extensive record of structural characterization across multiple databases, it serves as a fundamental reference point for understanding metal-sulfide bonding and the geochemical behavior of platinum in the Earth's crust.
Key Properties
Cross-validated computational properties for cooperite, 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 PtS. 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 PtS, 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. |
|---|---|---|---|---|---|
| P42/mmc (No. 131) | tetragonal | 0.43 | 0.0000 | -0.443 | — |
| P42/mmc (No. 131) | tetragonal | 0.43 | 0.0000 | -0.443 | — |
| — | — | 0.41 | 0.0000 | -0.558 | — |
| P42/mmc (No. 131) | tetragonal | 0.38 | 0.0000 | -30.294 | 10.10 |
| P42/m (No. 84) | tetragonal | 0.20 | 0.0134 | -0.429 | — |
| P42/m (No. 84) | tetragonal | 0.19 | 0.0349 | -30.259 | 10.95 |
| — | — | 0.00 | 0.4367 | -0.121 | — |
| — | — | 0.00 | 0.4609 | -0.097 | — |
| — | — | 0.00 | 0.4613 | -0.096 | — |
| — | — | 0.00 | 0.5409 | -0.017 | — |
| — | — | 0.00 | 0.7365 | 0.179 | — |
| — | — | 0.00 | 0.8315 | 0.274 | — |
Applications
Where cooperite is used.
Frequently Asked Questions
Common questions about cooperite, answered from cross-validated data.
What is PtS?
PtS is a naturally occurring, stable semiconducting mineral that serves as a vital ore for platinum extraction.
What is PtS used for?
What is the band gap of PtS?
Is PtS a metal, semiconductor, or insulator?
Is PtS thermodynamically stable?
What is the crystal structure of PtS?
How many polymorphs of PtS are known?
What elements does PtS contain?
Where does the data for PtS come from?
How It Compares
As a stable sulfide, PtS stands out for its well-documented structural diversity, serving as a primary model for understanding the coordination chemistry of platinum in sulfur-rich environments.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze PtS in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →