Cs4F8Li4
Cs4F8Li4 is a thermodynamically stable, insulating fluoride compound composed of cesium, lithium, and fluorine.
About Cs4F8Li4
Cs4F8Li4 is a complex fluoride compound characterized by its insulating electronic nature and wide band gap. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of cesium, lithium, and fluorine atoms.
This material is of interest for fundamental research into multi-component halide systems. Its stability suggests it may be a viable candidate for specialized applications requiring wide-gap materials that can withstand rigorous chemical environments.
Key Properties
Cross-validated computational properties for Cs4F8Li4, 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 Cs4F8Li4, 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 | 6.27 | 0.0000 | -11.456 | 4.21 |
| — | — | — | — | — | 2.97 |
| — | — | — | — | — | 3.64 |
| — | — | — | — | — | 3.36 |
| C2/c (No. 15) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cs4F8Li4, answered from cross-validated data.
What is Cs4F8Li4?
Cs4F8Li4 is a thermodynamically stable, insulating fluoride compound composed of cesium, lithium, and fluorine.
What is the band gap of Cs4F8Li4?
Is Cs4F8Li4 a metal, semiconductor, or insulator?
Is Cs4F8Li4 thermodynamically stable?
What is the crystal structure of Cs4F8Li4?
What is the density of Cs4F8Li4?
How many polymorphs of Cs4F8Li4 are known?
What elements does Cs4F8Li4 contain?
Where does the data for Cs4F8Li4 come from?
How It Compares
As a unique multi-component fluoride, Cs4F8Li4 occupies a distinct position within the landscape of complex halide materials, serving as a stable reference point for understanding the interplay between large alkali cations like cesium and smaller, highly mobile lithium ions.
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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