PbS
Galena · Lead sulfide, Lead glance
Galena is a naturally occurring mineral that serves as the primary ore for lead. It is a semiconductor material historically significant for its use in early radio technology and modern infrared detection.
Overview
Key Properties
Cross-validated computational properties for Galena, 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.
0.01–2.10 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.
145
4 databases, 27 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of PbS. 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 PbS, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.47 | 0.0000 | -4.709 | 7.45 |
| R3m (No. 160) | trigonal | 0.56 | 0.0014 | -4.708 | 7.44 |
| Pnma (No. 62) | orthorhombic | 0.66 | 0.0176 | -4.692 | 7.15 |
| Pnma (No. 62) | orthorhombic | 1.22 | 0.0310 | -4.678 | 7.32 |
| Cmcm (No. 63) | orthorhombic | 1.30 | 0.0385 | -4.671 | 7.45 |
| P63mc (No. 186) | hexagonal | 0.59 | 0.0565 | -4.653 | 7.17 |
| C2/m (No. 12) | monoclinic | 1.65 | 0.0580 | -4.651 | 4.00 |
| Cmce (No. 64) | orthorhombic | 2.10 | 0.0581 | -4.651 | 2.74 |
| Aem2 (No. 39) | orthorhombic | 1.70 | 0.0585 | -4.651 | 3.95 |
| C2 (No. 5) | monoclinic | 1.67 | 0.0585 | -4.651 | 2.01 |
| C2/m (No. 12) | monoclinic | 1.72 | 0.0590 | -4.650 | 2.70 |
| P4/nmm (No. 129) | tetragonal | 1.67 | 0.0591 | -4.650 | 3.89 |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting PbS.
Sol-Gel
Procedure available · ceder_solid_state
Uses
Applications
Where Galena is used.
Lead productionInfrared detectorsCrystal radio receiversPhotovoltaic devices
Reference
Frequently Asked Questions
Common questions about Galena, answered from cross-validated data.
What is PbS?
Galena is a naturally occurring mineral that serves as the primary ore for lead. It is a semiconductor material historically significant for its use in early radio technology and modern infrared detection.
More questions
What is PbS used for?
Galena (PbS) is used in lead production, infrared detectors, crystal radio receivers, and photovoltaic devices.
What is the band gap of PbS?
Galena (PbS) has a DFT-computed band gap of 0.01–2.10 eV across 145 reported structures.
Is PbS a metal, semiconductor, or insulator?
With a band gap up to 2.10 eV it is a semiconductor.
Is PbS thermodynamically stable?
Yes — Galena (PbS) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of PbS?
The lowest-energy reported polymorph of Galena (PbS) is cubic symmetry, space group Fm-3m (No. 225).
What is the density of PbS?
The computed density of the ground-state structure of Galena (PbS) is 7.45 g/cm³.
How many polymorphs of PbS are known?
145 structures of PbS are reported across 4 databases, spanning 27 distinct space groups.
How is PbS synthesized?
Literature-reported routes for PbS include sol-gel.
What elements does PbS contain?
Galena (PbS) contains Pb and S (2 elements).
Where does the data for PbS come from?
PbS data is cross-referenced from materials_project, jarvis.
Explore
Related Compounds
Other Lead Chalcogenide Thermoelectrics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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