F4O12S4Tl4
F4O12S4Tl4 is a thermodynamically stable, insulating inorganic compound composed of thallium, sulfur, oxygen, and fluorine.
About F4O12S4Tl4
F4O12S4Tl4 is a complex inorganic compound characterized by its insulating electronic nature and wide band gap. Its presence on the thermodynamic convex hull indicates that it is a highly stable material, suggesting robust structural integrity under standard conditions.
Researchers value this compound for its well-defined structural characteristics, supported by multiple entries across crystallographic databases. Its unique composition of thallium, sulfur, oxygen, and fluorine makes it a subject of interest for fundamental studies in solid-state chemistry and materials science.
Key Properties
Cross-validated computational properties for F4O12S4Tl4, 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 F4O12S4Tl4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 4.45 | 0.0000 | -5.768 | 4.63 |
| — | — | — | — | — | 4.77 |
| — | — | — | — | — | 4.77 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where F4O12S4Tl4 is used.
Frequently Asked Questions
Common questions about F4O12S4Tl4, answered from cross-validated data.
What is F4O12S4Tl4?
F4O12S4Tl4 is a thermodynamically stable, insulating inorganic compound composed of thallium, sulfur, oxygen, and fluorine.
What is F4O12S4Tl4 used for?
What is the band gap of F4O12S4Tl4?
Is F4O12S4Tl4 a metal, semiconductor, or insulator?
Is F4O12S4Tl4 thermodynamically stable?
What is the crystal structure of F4O12S4Tl4?
What is the density of F4O12S4Tl4?
How many polymorphs of F4O12S4Tl4 are known?
What elements does F4O12S4Tl4 contain?
Where does the data for F4O12S4Tl4 come from?
How It Compares
As a distinct inorganic compound, F4O12S4Tl4 occupies a unique position in the landscape of complex thallium-based salts. While it lacks direct structural siblings in this specific grouping, its thermodynamic stability and insulating behavior distinguish it as a reliable reference point for exploring the electronic properties of similar multi-element anionic frameworks.
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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