I6O6Rb18
I6O6Rb18 is a stable semiconducting compound containing rubidium, iodine, and oxygen that is recognized for its structural consistency in materials databases.
About I6O6Rb18
I6O6Rb18 is a complex inorganic compound featuring rubidium, iodine, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions. Its semiconducting electronic character suggests potential utility in specialized optoelectronic or solid-state applications where controlled charge transport is required. The material is characterized by its presence across multiple structural databases, reflecting its significance in fundamental materials research. Its specific arrangement of atoms provides a stable framework that serves as a subject of interest for those exploring complex ternary oxides and halides.
Key Properties
Cross-validated computational properties for I6O6Rb18, 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 I6O6Rb18, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.63 | 0.0000 | -3.285 | 3.73 |
| P63/mmc (No. 194) | — | — | — | — | — |
| — | — | — | — | — | 3.55 |
Applications
Where I6O6Rb18 is used.
Frequently Asked Questions
Common questions about I6O6Rb18, answered from cross-validated data.
What is I6O6Rb18?
I6O6Rb18 is a stable semiconducting compound containing rubidium, iodine, and oxygen that is recognized for its structural consistency in materials databases.
What is I6O6Rb18 used for?
What is the band gap of I6O6Rb18?
Is I6O6Rb18 a metal, semiconductor, or insulator?
Is I6O6Rb18 thermodynamically stable?
What is the crystal structure of I6O6Rb18?
What is the density of I6O6Rb18?
How many polymorphs of I6O6Rb18 are known?
What elements does I6O6Rb18 contain?
Where does the data for I6O6Rb18 come from?
How It Compares
As a unique ternary compound, I6O6Rb18 occupies a distinct position in materials science, serving as a stable reference point for rubidium-based systems. Unlike more common binary salts, this material demonstrates the structural complexity achievable when combining alkali metals with heavy halogens and oxygen, providing a valuable case study for the stability of multi-element ionic lattices.
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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