Cs4I8O22
This compound is a complex inorganic salt containing cesium, iodine, and oxygen. It is primarily studied in the context of solid-state chemistry and structural research regarding polyiodide frameworks.
CsIO
Overview
Key Properties
Cross-validated computational properties for Cs4I8O22, 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.
2.87–2.98 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
4 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cs4I8O22, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.98 | 0.0000 | -4.820 | 4.86 |
| P63 (No. 173) | hexagonal | 2.87 | 0.0036 | -4.817 | 4.97 |
| No. 0 | unknown | — | — | — | 1.20 |
| P63 (No. 173) | — | — | — | — | — |
| — | — | — | — | — | 4.71 |
Uses
Applications
Where Cs4I8O22 is used.
Solid-state chemistry researchStructural crystallography studies
Reference
Frequently Asked Questions
Common questions about Cs4I8O22, answered from cross-validated data.
What is Cs4I8O22?
This compound is a complex inorganic salt containing cesium, iodine, and oxygen. It is primarily studied in the context of solid-state chemistry and structural research regarding polyiodide frameworks.
More questions
What is Cs4I8O22 used for?
Cs4I8O22 is used in solid-state chemistry research and structural crystallography studies.
What is the band gap of Cs4I8O22?
Cs4I8O22 has a DFT-computed band gap of 2.87–2.98 eV across 5 reported structures.
Is Cs4I8O22 a metal, semiconductor, or insulator?
With a band gap up to 2.98 eV it is a semiconductor.
Is Cs4I8O22 thermodynamically stable?
Yes — Cs4I8O22 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cs4I8O22?
The lowest-energy reported polymorph of Cs4I8O22 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Cs4I8O22?
The computed density of the ground-state structure of Cs4I8O22 is 4.86 g/cm³.
How many polymorphs of Cs4I8O22 are known?
5 structures of Cs4I8O22 are reported across 4 databases, spanning 3 distinct space groups.
What elements does Cs4I8O22 contain?
Cs4I8O22 contains Cs, I, and O (3 elements).
Where does the data for Cs4I8O22 come from?
Cs4I8O22 data is cross-referenced from materials_project, cod, aflow, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- 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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