Cs4I4O16
Cs4I4O16 is a thermodynamically stable, semiconducting inorganic compound composed of cesium, iodine, and oxygen.
About Cs4I4O16
Cs4I4O16 is a complex inorganic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of cesium, iodine, and oxygen atoms that maintains structural integrity under standard conditions.
This material is notable for its well-defined structural profile, with multiple reported configurations across research databases. Its stability and semiconducting behavior make it a subject of interest for researchers investigating the fundamental properties of complex iodate-based systems.
Key Properties
Cross-validated computational properties for Cs4I4O16, 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 Cs4I4O16, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.56 | 0.0000 | -4.872 | 4.27 |
| — | — | — | — | — | 3.54 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cs4I4O16, answered from cross-validated data.
What is Cs4I4O16?
Cs4I4O16 is a thermodynamically stable, semiconducting inorganic compound composed of cesium, iodine, and oxygen.
What is the band gap of Cs4I4O16?
Is Cs4I4O16 a metal, semiconductor, or insulator?
Is Cs4I4O16 thermodynamically stable?
What is the crystal structure of Cs4I4O16?
What is the density of Cs4I4O16?
How many polymorphs of Cs4I4O16 are known?
What elements does Cs4I4O16 contain?
Where does the data for Cs4I4O16 come from?
How It Compares
As a unique inorganic compound, Cs4I4O16 serves as a distinct entry in the landscape of complex cesium-iodine-oxygen systems. It stands out due to its confirmed thermodynamic stability, providing a reliable baseline for studying the electronic and structural trends within this specific chemical family.
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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