Cs4I10Li6
Cs4I10Li6 is a stable, insulating compound containing cesium, lithium, and iodine that is studied for its potential in advanced materials applications.
About Cs4I10Li6
Cs4I10Li6 is a complex inorganic compound composed of cesium, lithium, and iodine. As a wide-band-gap insulator, it exhibits electronic properties that make it a subject of interest for fundamental materials science research and potential optoelectronic applications.
This material is characterized by its near-hull thermodynamic stability, suggesting that it is a viable candidate for experimental synthesis. Its presence across multiple structural databases highlights its significance as a well-documented phase within its chemical system.
Key Properties
Cross-validated computational properties for Cs4I10Li6, 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 Cs4I10Li6, 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/m (No. 12) | monoclinic | 3.86 | 0.0115 | -3.050 | 3.88 |
| C2 (No. 5) | monoclinic | 3.83 | 0.0115 | -3.050 | 3.78 |
| C2/m (No. 12) | — | — | — | — | — |
| — | — | — | — | — | 3.61 |
Applications
Where Cs4I10Li6 is used.
Frequently Asked Questions
Common questions about Cs4I10Li6, answered from cross-validated data.
What is Cs4I10Li6?
Cs4I10Li6 is a stable, insulating compound containing cesium, lithium, and iodine that is studied for its potential in advanced materials applications.
What is Cs4I10Li6 used for?
What is the band gap of Cs4I10Li6?
Is Cs4I10Li6 a metal, semiconductor, or insulator?
Is Cs4I10Li6 thermodynamically stable?
What is the crystal structure of Cs4I10Li6?
What is the density of Cs4I10Li6?
How many polymorphs of Cs4I10Li6 are known?
What elements does Cs4I10Li6 contain?
Where does the data for Cs4I10Li6 come from?
How It Compares
As a unique inorganic phase, Cs4I10Li6 serves as a structural reference point for complex halide systems. It occupies a distinct space in materials discovery, offering a stable configuration that bridges the gap between simple binary halides and more intricate multi-component frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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