S8Ti4
S8Ti4 has a DFT band gap of 0.17–0.37 eV across 12 reported structures in 5 space groups. Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for S8Ti4, aggregated across 2 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.
0.17–0.37 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.
—
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.
Not assessed
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
12
2 databases, 5 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting S8Ti4.
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Reference
Frequently Asked Questions
Common questions about S8Ti4, answered from cross-validated data.
What is the band gap of S8Ti4?
S8Ti4 has a DFT-computed band gap of 0.17–0.37 eV across 12 reported structures. Standard DFT underestimates band gaps, so the measured gap is typically larger.
More questions
Is S8Ti4 a metal, semiconductor, or insulator?
DFT predicts a band gap of up to 0.37 eV (a semiconductor). Measured gaps are typically larger.
How many polymorphs of S8Ti4 are known?
12 structures of S8Ti4 are reported across 2 databases, spanning 5 distinct space groups.
How is S8Ti4 synthesized?
Literature-reported routes for S8Ti4 include solid state (2 procedures documented).
What elements does S8Ti4 contain?
S8Ti4 contains S and Ti (2 elements).
Where does the data for S8Ti4 come from?
S8Ti4 data is cross-referenced from latticegraph.
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Related Compounds
Other Transition-Metal Dichalcogenides in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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