K3IO
This compound is an inorganic salt composed of potassium, iodine, and oxygen. It is primarily studied in academic research settings to understand the structural properties of complex alkali metal oxo-iodides.
IKO
Overview
Key Properties
Cross-validated computational properties for K3IO, 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.
1.03 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for K3IO, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 1.03 | 0.0000 | -3.419 | 2.91 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 2.84 |
| Pm-3m (No. 221) | Cubic | — | — | — | 2.77 |
| Pm-3m (No. 221) | Cubic | — | — | — | 2.88 |
Uses
Applications
Where K3IO is used.
Academic researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about K3IO, answered from cross-validated data.
What is K3IO?
This compound is an inorganic salt composed of potassium, iodine, and oxygen. It is primarily studied in academic research settings to understand the structural properties of complex alkali metal oxo-iodides.
More questions
What is K3IO used for?
K3IO is used in academic research and solid-state chemistry studies.
What is the band gap of K3IO?
K3IO has a DFT-computed band gap of 1.03 eV across 5 reported structures.
Is K3IO a metal, semiconductor, or insulator?
With a band gap up to 1.03 eV it is a semiconductor.
Is K3IO thermodynamically stable?
Yes — K3IO sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K3IO?
The lowest-energy reported polymorph of K3IO is cubic symmetry, space group Pm-3m (No. 221).
What is the density of K3IO?
The computed density of the ground-state structure of K3IO is 2.91 g/cm³.
How many polymorphs of K3IO are known?
5 structures of K3IO are reported across 3 databases, spanning 1 distinct space group.
What elements does K3IO contain?
K3IO contains I, K, and O (3 elements).
Where does the data for K3IO come from?
K3IO data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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