Cs6S27Ti6
This compound is a complex inorganic sulfide containing cesium, sulfur, and titanium. It belongs to a class of materials often investigated for their unique structural arrangements and potential electronic properties in solid-state chemistry research.
Key Properties
Cross-validated computational properties for Cs6S27Ti6, 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 Cs6S27Ti6, 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. |
|---|---|---|---|---|---|
| R3 (No. 146) | trigonal | 0.81 | 0.0000 | -5.543 | 2.94 |
| — | — | — | — | — | 2.87 |
| R3 (No. 146) | — | — | — | — | — |
Applications
Where Cs6S27Ti6 is used.
Frequently Asked Questions
Common questions about Cs6S27Ti6, answered from cross-validated data.
What is Cs6S27Ti6?
This compound is a complex inorganic sulfide containing cesium, sulfur, and titanium. It belongs to a class of materials often investigated for their unique structural arrangements and potential electronic properties in solid-state chemistry research.
What is Cs6S27Ti6 used for?
What is the band gap of Cs6S27Ti6?
Is Cs6S27Ti6 a metal, semiconductor, or insulator?
Is Cs6S27Ti6 thermodynamically stable?
What is the crystal structure of Cs6S27Ti6?
What is the density of Cs6S27Ti6?
How many polymorphs of Cs6S27Ti6 are known?
What elements does Cs6S27Ti6 contain?
Where does the data for Cs6S27Ti6 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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