H4I12O32
This compound is a complex inorganic acid involving iodine and oxygen. It is primarily studied for its unique structural properties in coordination chemistry and as a precursor in specialized chemical synthesis.
HIO
Overview
Key Properties
Cross-validated computational properties for H4I12O32, 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.
2.54 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.
0.008 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.
Near hull (likely stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for H4I12O32, 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 | 2.51 | 0.0078 | -4.777 | 4.73 |
| P21/c (No. 14) | monoclinic | 2.54 | 0.0217 | -4.763 | 4.73 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.28 |
Uses
Applications
Where H4I12O32 is used.
Chemical researchSynthetic chemistryStructural analysis
Reference
Frequently Asked Questions
Common questions about H4I12O32, answered from cross-validated data.
What is H4I12O32?
This compound is a complex inorganic acid involving iodine and oxygen. It is primarily studied for its unique structural properties in coordination chemistry and as a precursor in specialized chemical synthesis.
More questions
What is H4I12O32 used for?
H4I12O32 is used in chemical research, synthetic chemistry, and structural analysis.
What is the band gap of H4I12O32?
H4I12O32 has a DFT-computed band gap of 2.54 eV across 4 reported structures.
Is H4I12O32 a metal, semiconductor, or insulator?
With a band gap up to 2.54 eV it is a semiconductor.
Is H4I12O32 thermodynamically stable?
H4I12O32 has a lowest energy above hull of 0.008 eV/atom (near hull (likely stable)).
What is the crystal structure of H4I12O32?
The lowest-energy reported polymorph of H4I12O32 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of H4I12O32?
The computed density of the ground-state structure of H4I12O32 is 4.73 g/cm³.
How many polymorphs of H4I12O32 are known?
4 structures of H4I12O32 are reported across 3 databases, spanning 2 distinct space groups.
What elements does H4I12O32 contain?
H4I12O32 contains H, I, and O (3 elements).
Where does the data for H4I12O32 come from?
H4I12O32 data is cross-referenced from materials_project, aflow, cod.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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