O20S4Ti4
O20S4Ti4 is a thermodynamically stable semiconducting compound containing titanium, sulfur, and oxygen.
About O20S4Ti4
O20S4Ti4 is a complex inorganic compound composed of titanium, sulfur, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of these elements that is structurally well-defined within its reported database entries. Its electronic character as a semiconductor makes it an intriguing candidate for specialized electronic or optoelectronic applications where specific charge transport properties are required. The material's stability suggests it can withstand various processing conditions, providing a reliable foundation for further experimental characterization. Its unique composition bridges the gap between traditional oxides and sulfides, offering a distinct chemical environment that may influence its interaction with light and electricity.
Key Properties
Cross-validated computational properties for O20S4Ti4, 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 O20S4Ti4, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 2.57 | 0.0000 | -7.798 | 3.18 |
| Pmc21 (No. 26) | orthorhombic | 2.23 | 0.0032 | -7.795 | 2.83 |
| Pnma (No. 62) | orthorhombic | 2.10 | 0.0056 | -7.793 | 2.77 |
| Pnma (No. 62) | orthorhombic | — | — | — | 0.61 |
| C2/c (No. 15) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where O20S4Ti4 is used.
Frequently Asked Questions
Common questions about O20S4Ti4, answered from cross-validated data.
What is O20S4Ti4?
O20S4Ti4 is a thermodynamically stable semiconducting compound containing titanium, sulfur, and oxygen.
What is O20S4Ti4 used for?
What is the band gap of O20S4Ti4?
Is O20S4Ti4 a metal, semiconductor, or insulator?
Is O20S4Ti4 thermodynamically stable?
What is the crystal structure of O20S4Ti4?
What is the density of O20S4Ti4?
How many polymorphs of O20S4Ti4 are known?
What elements does O20S4Ti4 contain?
Where does the data for O20S4Ti4 come from?
How It Compares
As a unique inorganic compound, O20S4Ti4 occupies a specialized niche within the broader landscape of titanium-based chalcogenides and oxides. While it does not share its specific structural class with other common compounds in this dataset, its thermodynamic stability distinguishes it as a particularly favorable phase compared to more metastable or transient configurations of similar elemental compositions.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
Analyze O20S4Ti4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →