Ca4H8I8O28
Ca4H8I8O28 is a complex, wide-gap insulating compound composed of calcium, hydrogen, iodine, and oxygen that is considered potentially synthesizable due to its near-hull stability.
About Ca4H8I8O28
Ca4H8I8O28 is a complex inorganic compound characterized by its insulating electronic nature and wide band gap. Its composition, involving a combination of calcium, hydrogen, iodine, and oxygen, places it in a specialized category of materials that are of interest for fundamental structural studies. The compound is identified as a near-hull material, suggesting that it is thermodynamically stable enough to be considered a viable candidate for synthesis in a laboratory setting. Researchers monitor such compounds to better understand the interplay between large anionic frameworks and alkaline earth metal cations. As a relatively rare structural arrangement, it serves as a point of comparison for exploring how complex oxygen-iodine environments influence the stability of calcium-based solids. Its insulating properties make it a subject of interest for those investigating dielectric or optical materials where wide-gap behavior is a functional requirement.
Key Properties
Cross-validated computational properties for Ca4H8I8O28, 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 Ca4H8I8O28, 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 | 3.62 | 0.0180 | -5.321 | 4.08 |
| No. 0 | unknown | — | — | — | 1.06 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where Ca4H8I8O28 is used.
Frequently Asked Questions
Common questions about Ca4H8I8O28, answered from cross-validated data.
What is Ca4H8I8O28?
Ca4H8I8O28 is a complex, wide-gap insulating compound composed of calcium, hydrogen, iodine, and oxygen that is considered potentially synthesizable due to its near-hull stability.
What is Ca4H8I8O28 used for?
What is the band gap of Ca4H8I8O28?
Is Ca4H8I8O28 a metal, semiconductor, or insulator?
Is Ca4H8I8O28 thermodynamically stable?
What is the crystal structure of Ca4H8I8O28?
What is the density of Ca4H8I8O28?
How many polymorphs of Ca4H8I8O28 are known?
What elements does Ca4H8I8O28 contain?
Where does the data for Ca4H8I8O28 come from?
How It Compares
As a unique structural entity, Ca4H8I8O28 stands as a distinct example of complex calcium-iodine-oxygen chemistry. Without direct structural siblings in its immediate class, it serves as a benchmark for understanding how high-complexity frameworks maintain near-hull stability, providing a reference point for future discoveries of similar multi-element inorganic insulators.
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).
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