PtS
Cooperite · Platinum monosulfide
Cooperite is a naturally occurring mineral composed of platinum and sulfur. It serves as a primary ore for the extraction of platinum group metals and is studied for its unique structural properties in mineralogy.
PtS
Overview
Key Properties
Cross-validated computational properties for Cooperite, aggregated across 4 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.
0.19–0.38 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
175
4 databases, 29 space groups
Validation
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.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
2
jarvis, materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
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 | 0.38 | 0.0000 | -30.294 | 10.10 |
| P42/m (No. 84) | tetragonal | 0.19 | 0.0349 | -30.259 | 10.95 |
| P1 (No. 1) | Triclinic | — | — | — | 9.26 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 11.38 |
| P2/m (No. 10) | Monoclinic | — | — | — | 13.09 |
| P2/m (No. 10) | Monoclinic | — | — | — | 8.13 |
| P2/m (No. 10) | Monoclinic | — | — | — | 10.93 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.11 |
| P-1 (No. 2) | Triclinic | — | — | — | 11.11 |
| P-1 (No. 2) | Triclinic | — | — | — | 10.58 |
| Cm (No. 8) | Monoclinic | — | — | — | 15.06 |
| Cm (No. 8) | Monoclinic | — | — | — | 8.02 |
Uses
Applications
Where Cooperite is used.
Source of platinum group metalsGeological researchMineral specimen collection
Reference
Frequently Asked Questions
Common questions about Cooperite, answered from cross-validated data.
What is PtS?
Cooperite is a naturally occurring mineral composed of platinum and sulfur. It serves as a primary ore for the extraction of platinum group metals and is studied for its unique structural properties in mineralogy.
More questions
What is PtS used for?
Cooperite (PtS) is used in source of platinum group metals, geological research, and mineral specimen collection.
What is the band gap of PtS?
Cooperite (PtS) has a DFT-computed band gap of 0.19–0.38 eV across 175 reported structures.
Is PtS a metal, semiconductor, or insulator?
With a band gap up to 0.38 eV it is a semiconductor.
Is PtS thermodynamically stable?
Yes — Cooperite (PtS) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of PtS?
The lowest-energy reported polymorph of Cooperite (PtS) is tetragonal symmetry, space group P42/mmc (No. 131).
What is the density of PtS?
The computed density of the ground-state structure of Cooperite (PtS) is 10.10 g/cm³.
How many polymorphs of PtS are known?
175 structures of PtS are reported across 4 databases, spanning 29 distinct space groups.
What elements does PtS contain?
Cooperite (PtS) contains Pt and S (2 elements).
Where does the data for PtS come from?
PtS data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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