ThS2
ThS2 is a thermodynamically stable, semiconducting thorium sulfide known for its diverse structural configurations.
About ThS2
ThS2 is a semiconducting thorium sulfide that occupies a stable position on the convex hull, indicating robust thermodynamic favorability. Its structural chemistry is notably rich, with numerous reported configurations across major materials databases, highlighting its significance in actinide research.
As a binary chalcogenide, this compound serves as a fundamental subject for understanding the electronic properties of heavy-element sulfides. Its stability and diverse structural landscape make it a vital reference point for researchers investigating the bonding characteristics of thorium in sulfur-rich environments.
Key Properties
Cross-validated computational properties for ThS2, 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.
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.
Applications
Where ThS2 is used.
Frequently Asked Questions
Common questions about ThS2, answered from cross-validated data.
What is ThS2?
ThS2 is a thermodynamically stable, semiconducting thorium sulfide known for its diverse structural configurations.
What is ThS2 used for?
What is the band gap of ThS2?
Is ThS2 a metal, semiconductor, or insulator?
Is ThS2 thermodynamically stable?
How many polymorphs of ThS2 are known?
What elements does ThS2 contain?
Where does the data for ThS2 come from?
How It Compares
As a member of the actinide chalcogenide family, ThS2 represents a stable, semiconducting baseline for evaluating the behavior of thorium-based materials. It serves as a primary model for understanding how heavy elements accommodate sulfur coordination in various crystalline arrangements.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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