TiS2
TiS2 has a DFT band gap of 0.05–1.64 eV across 207 reported structures in 31 space groups. Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for TiS2, 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.
0.05–1.64 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.
207
4 databases, 31 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting TiS2.
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Intellectual Property
Patent Landscape
4 patents reference TiS2 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 4091191 | Battery having an electrode comprising mixtures of Al and TiS.sub.2 | — | — |
| 4416960 | Li/TiS.sub.2 Current producing system | — | — |
| 4284692 | Compositions for stabilizing electrolytes in Li/TiS.sub.2 systems | — | — |
| 9819020 | Few-layered TiS2 as Li-ion battery anode | — | — |
Reference
Frequently Asked Questions
Common questions about TiS2, answered from cross-validated data.
What is the band gap of TiS2?
TiS2 has a DFT-computed band gap of 0.05–1.64 eV across 207 reported structures.
More questions
Is TiS2 a metal, semiconductor, or insulator?
With a band gap up to 1.64 eV it is a semiconductor.
Is TiS2 thermodynamically stable?
Yes — TiS2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of TiS2 are known?
207 structures of TiS2 are reported across 4 databases, spanning 31 distinct space groups.
How is TiS2 synthesized?
Literature-reported routes for TiS2 include solid state (2 procedures documented).
What elements does TiS2 contain?
TiS2 contains S and Ti (2 elements).
Where does the data for TiS2 come from?
TiS2 data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Transition-Metal Dichalcogenides in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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