AsF6K2Tl
AsF6K2Tl is a metastable, semiconducting inorganic compound composed of arsenic, fluorine, potassium, and thallium.
About AsF6K2Tl
AsF6K2Tl is a complex inorganic compound containing arsenic, fluorine, potassium, and thallium. It exhibits semiconducting electronic properties, positioning it as a subject of interest for researchers exploring specialized electronic materials. As a metastable phase, this compound requires careful synthesis and characterization. Its existence across multiple structural databases highlights its significance in the study of complex halide-based inorganic systems.
Key Properties
Cross-validated computational properties for AsF6K2Tl, aggregated across 4 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 AsF6K2Tl, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 2.73 | 0.0581 | -4.603 | 3.79 |
| Fm-3m (No. 225) | — | — | — | — | — |
| — | — | — | — | — | 3.27 |
| — | — | — | — | — | — |
| — | — | — | — | — | 3.57 |
Applications
Where AsF6K2Tl is used.
Frequently Asked Questions
Common questions about AsF6K2Tl, answered from cross-validated data.
What is AsF6K2Tl?
AsF6K2Tl is a metastable, semiconducting inorganic compound composed of arsenic, fluorine, potassium, and thallium.
What is AsF6K2Tl used for?
What is the band gap of AsF6K2Tl?
Is AsF6K2Tl a metal, semiconductor, or insulator?
Is AsF6K2Tl thermodynamically stable?
What is the crystal structure of AsF6K2Tl?
What is the density of AsF6K2Tl?
How many polymorphs of AsF6K2Tl are known?
What elements does AsF6K2Tl contain?
Where does the data for AsF6K2Tl come from?
How It Compares
As a unique inorganic compound, AsF6K2Tl serves as a distinct entry in the landscape of thallium-containing salts. Without direct structural siblings in this specific class, it stands as an isolated example of how heavy metal cations and complex anions interact to produce semiconducting behavior in a metastable framework.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- alexandria — Data from alexandria.
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