H4I6K2O2
This compound is an inorganic salt containing potassium, iodine, hydrogen, and oxygen. It is primarily studied in specialized chemical research contexts involving halide chemistry and coordination complexes.
HIKO
Overview
Key Properties
Cross-validated computational properties for H4I6K2O2, 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.
1.91 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for H4I6K2O2, 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. |
|---|---|---|---|---|---|
| Pc (No. 7) | monoclinic | 1.91 | 0.0079 | -3.510 | 3.48 |
| Pc (No. 7) | — | — | — | — | — |
| — | — | — | — | — | 3.92 |
Uses
Applications
Where H4I6K2O2 is used.
Chemical researchLaboratory reagent
Reference
Frequently Asked Questions
Common questions about H4I6K2O2, answered from cross-validated data.
What is H4I6K2O2?
This compound is an inorganic salt containing potassium, iodine, hydrogen, and oxygen. It is primarily studied in specialized chemical research contexts involving halide chemistry and coordination complexes.
More questions
What is H4I6K2O2 used for?
H4I6K2O2 is used in chemical research and laboratory reagent.
What is the band gap of H4I6K2O2?
H4I6K2O2 has a DFT-computed band gap of 1.91 eV across 3 reported structures.
Is H4I6K2O2 a metal, semiconductor, or insulator?
With a band gap up to 1.91 eV it is a semiconductor.
Is H4I6K2O2 thermodynamically stable?
H4I6K2O2 has a lowest energy above hull of 0.008 eV/atom (near hull (likely stable)).
What is the crystal structure of H4I6K2O2?
The lowest-energy reported polymorph of H4I6K2O2 is monoclinic symmetry, space group Pc (No. 7).
What is the density of H4I6K2O2?
The computed density of the ground-state structure of H4I6K2O2 is 3.48 g/cm³.
How many polymorphs of H4I6K2O2 are known?
3 structures of H4I6K2O2 are reported across 3 databases, spanning 1 distinct space group.
What elements does H4I6K2O2 contain?
H4I6K2O2 contains H, I, K, and O (4 elements).
Where does the data for H4I6K2O2 come from?
H4I6K2O2 data is cross-referenced from materials_project, aflow, omat24.
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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