Ti3S4
Titanium sulfide is a crystalline inorganic compound that belongs to the transition metal chalcogenide family. It is primarily studied for its potential role in electrochemical energy storage systems and as a candidate material for advanced electronic components.
Key Properties
Cross-validated computational properties for Ti3S4, aggregated across 3 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.
Reported Structures
Lowest-energy structures reported for Ti3S4, 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. |
|---|---|---|---|---|---|
| P3m1 (No. 156) | trigonal | 0.00 | 0.1029 | -7.355 | 3.72 |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.2221 | -7.236 | 3.72 |
| P3m1 (No. 156) | trigonal | 0.27 | 2.5577 | -4.900 | 0.51 |
| P3m1 (No. 156) | Trigonal | — | — | — | 3.75 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.99 |
| P3m1 (No. 156) | Trigonal | — | — | — | 3.78 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.92 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.01 |
| R3m (No. 160) | Trigonal | — | — | — | 4.88 |
| P1 (No. 1) | Triclinic | — | — | — | 4.00 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.80 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.85 |
Applications
Where Ti3S4 is used.
Frequently Asked Questions
Common questions about Ti3S4, answered from cross-validated data.
What is Ti3S4?
Titanium sulfide is a crystalline inorganic compound that belongs to the transition metal chalcogenide family. It is primarily studied for its potential role in electrochemical energy storage systems and as a candidate material for advanced electronic components.
What is Ti3S4 used for?
What is the band gap of Ti3S4?
Is Ti3S4 a metal, semiconductor, or insulator?
Is Ti3S4 thermodynamically stable?
What is the crystal structure of Ti3S4?
What is the density of Ti3S4?
How many polymorphs of Ti3S4 are known?
What elements does Ti3S4 contain?
Where does the data for Ti3S4 come from?
Related Compounds
Other Transition-Metal Dichalcogenides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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