Cs4I8Li4
Cs4I8Li4 is a wide-band-gap insulating compound composed of cesium, lithium, and iodine that is considered a candidate for laboratory synthesis.
About Cs4I8Li4
Cs4I8Li4 is an insulating compound characterized by a wide electronic band gap. Its structural configuration, involving cesium, lithium, and iodine, suggests a complex ionic framework that is of interest for fundamental materials research.
As a material identified as near-hull, it occupies a position of thermodynamic interest where synthesis is considered viable. The existence of multiple reported structures across databases highlights its role as a subject of ongoing investigation in solid-state chemistry.
Key Properties
Cross-validated computational properties for Cs4I8Li4, 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 Cs4I8Li4, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 3.73 | 0.0238 | -3.018 | 3.84 |
| — | — | — | — | — | 3.73 |
| — | — | — | — | — | 3.88 |
| Cmc21 (No. 36) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cs4I8Li4, answered from cross-validated data.
What is Cs4I8Li4?
Cs4I8Li4 is a wide-band-gap insulating compound composed of cesium, lithium, and iodine that is considered a candidate for laboratory synthesis.
What is the band gap of Cs4I8Li4?
Is Cs4I8Li4 a metal, semiconductor, or insulator?
Is Cs4I8Li4 thermodynamically stable?
What is the crystal structure of Cs4I8Li4?
What is the density of Cs4I8Li4?
How many polymorphs of Cs4I8Li4 are known?
What elements does Cs4I8Li4 contain?
Where does the data for Cs4I8Li4 come from?
How It Compares
As a specialized compound within the broader landscape of alkali metal halides, Cs4I8Li4 serves as an intriguing example of complex stoichiometry. It demonstrates the structural diversity possible when combining large cesium cations with smaller lithium ions and iodine, providing a distinct case study for researchers exploring new phase spaces in insulating materials.
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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