FeS
Troilite · Ferrous sulfide, Iron(II) sulfide
FeS is a stable, semimetallic iron sulfide mineral frequently found in meteorites and geological formations.
About Troilite
FeS is a robust iron sulfide compound that occupies a stable position on the convex hull, indicating significant thermodynamic resilience. Its electronic structure is characterized as near-zero-gap, placing it in the category of semimetallic materials which exhibit unique conductivity behaviors distinct from traditional insulators or metals. This compound is of particular interest in geological and planetary research, frequently identified in meteoritic samples and deep-crustal mineralogy. Its structural versatility is evidenced by the vast array of reported configurations across major materials databases, making it a highly studied subject in solid-state chemistry.
Key Properties
Cross-validated computational properties for Troilite, 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 FeS. 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.
Synthesis Routes
Literature-extracted synthesis procedures targeting FeS.
Applications
Where Troilite is used.
Patent Landscape
1 patent reference FeS or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 4084045 | Galvanic cells employing uncompressed particles of FeS as the cathode | — | — |
Frequently Asked Questions
Common questions about Troilite, answered from cross-validated data.
What is FeS?
FeS is a stable, semimetallic iron sulfide mineral frequently found in meteorites and geological formations.
What is FeS used for?
What is the band gap of FeS?
Is FeS a metal, semiconductor, or insulator?
Is FeS thermodynamically stable?
How many polymorphs of FeS are known?
How is FeS synthesized?
What elements does FeS contain?
Where does the data for FeS come from?
How It Compares
As a fundamental iron-sulfur system, FeS serves as a primary reference point for understanding the phase stability and electronic evolution of transition metal chalcogenides. It represents a baseline for the broader class of iron sulfides, providing essential insights into how stoichiometry and structural arrangement influence the electronic properties of these common mineral phases.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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