Cs3F6In
Cs3F6In is a stable, wide-gap insulating fluoride compound composed of cesium, indium, and fluorine.
About Cs3F6In
Cs3F6In is a complex fluoride compound characterized by its insulating electronic behavior and significant thermodynamic stability. As a member of the broader class of cesium-based indium fluorides, it occupies a position on the convex hull, indicating robust structural integrity under standard conditions.
This material is of interest to researchers investigating wide-gap insulators for specialized optical or electronic applications. Its structural diversity, evidenced by multiple reported configurations, highlights the complex coordination chemistry possible within this ternary system.
Key Properties
Cross-validated computational properties for Cs3F6In, 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 Cs3F6In, 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 | 5.31 | 0.0000 | -14.596 | 4.54 |
| — | — | — | — | — | — |
| — | — | — | — | — | 4.15 |
| — | — | — | — | — | — |
Applications
Where Cs3F6In is used.
Frequently Asked Questions
Common questions about Cs3F6In, answered from cross-validated data.
What is Cs3F6In?
Cs3F6In is a stable, wide-gap insulating fluoride compound composed of cesium, indium, and fluorine.
What is Cs3F6In used for?
What is the band gap of Cs3F6In?
Is Cs3F6In a metal, semiconductor, or insulator?
Is Cs3F6In thermodynamically stable?
What is the crystal structure of Cs3F6In?
What is the density of Cs3F6In?
How many polymorphs of Cs3F6In are known?
What elements does Cs3F6In contain?
Where does the data for Cs3F6In come from?
How It Compares
As a unique ternary fluoride, Cs3F6In serves as a foundational example of stable cesium-indium-fluorine chemistry, providing a baseline for understanding how alkali metals integrate into indium-based halide frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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