IClO
IClO is a metastable, semiconducting ternary compound consisting of iodine, chlorine, and oxygen.
About IClO
IClO is a complex inorganic compound composed of iodine, chlorine, and oxygen. As a semiconducting material, it exhibits unique electronic properties that distinguish it from simple binary halides or oxides, making it a subject of interest for fundamental solid-state research.
Due to its metastable nature, this compound represents a challenging synthetic target. Its existence across multiple reported structures highlights the structural diversity possible within this specific elemental combination, providing a rich dataset for researchers investigating non-equilibrium phase stability.
Key Properties
Cross-validated computational properties for IClO, 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.
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 IClO, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 1.05 | 0.0610 | -3.367 | 3.59 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.3869 | -3.299 | 3.65 |
| No. 0 | unknown | — | — | — | 2.56 |
| R-3 (No. 148) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.31 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.23 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 4.88 |
| P-6m2 (No. 187) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where IClO is used.
Frequently Asked Questions
Common questions about IClO, answered from cross-validated data.
What is IClO?
IClO is a metastable, semiconducting ternary compound consisting of iodine, chlorine, and oxygen.
What is IClO used for?
What is the band gap of IClO?
Is IClO a metal, semiconductor, or insulator?
Is IClO thermodynamically stable?
What is the crystal structure of IClO?
What is the density of IClO?
How many polymorphs of IClO are known?
What elements does IClO contain?
Where does the data for IClO come from?
How It Compares
As a unique ternary compound, IClO occupies a specialized niche in materials science. Without direct structural siblings in this specific chemical class, it serves as a primary reference point for understanding how iodine-chlorine-oxygen interactions influence semiconducting behavior and structural metastability.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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