K2O2
Potassium peroxide · Potassium superoxide
Potassium peroxide is a reactive inorganic compound that acts as a strong oxidizing agent. It is primarily utilized in specialized chemical synthesis and as a source of oxygen in closed-environment breathing systems.
KO
Overview
Key Properties
Cross-validated computational properties for Potassium peroxide, 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.
2.08–2.36 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.
191
4 databases, 33 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for K2O2, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 2.36 | 0.0000 | -4.325 | 2.43 |
| P-62m (No. 189) | hexagonal | 2.08 | 0.0258 | -4.299 | 2.55 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.2684 | -4.056 | 2.43 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.04 |
| No. 0 | unknown | — | — | — | 0.34 |
| P1 (No. 1) | Triclinic | — | — | — | 1.79 |
| Cm (No. 8) | Monoclinic | — | — | — | 1.80 |
| Cm (No. 8) | Monoclinic | — | — | — | 1.84 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 0.44 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 0.50 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 0.63 |
| P-62m (No. 189) | Hexagonal | — | — | — | 2.42 |
Uses
Applications
Where Potassium peroxide is used.
Chemical synthesisOxygen generation systemsLaboratory reagent
Reference
Frequently Asked Questions
Common questions about Potassium peroxide, answered from cross-validated data.
What is K2O2?
Potassium peroxide is a reactive inorganic compound that acts as a strong oxidizing agent. It is primarily utilized in specialized chemical synthesis and as a source of oxygen in closed-environment breathing systems.
More questions
What is K2O2 used for?
Potassium peroxide (K2O2) is used in chemical synthesis, oxygen generation systems, and laboratory reagent.
What is the band gap of K2O2?
Potassium peroxide (K2O2) has a DFT-computed band gap of 2.08–2.36 eV across 191 reported structures.
Is K2O2 a metal, semiconductor, or insulator?
With a band gap up to 2.36 eV it is a semiconductor.
Is K2O2 thermodynamically stable?
Yes — Potassium peroxide (K2O2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K2O2?
The lowest-energy reported polymorph of Potassium peroxide (K2O2) is orthorhombic symmetry, space group Cmce (No. 64).
What is the density of K2O2?
The computed density of the ground-state structure of Potassium peroxide (K2O2) is 2.43 g/cm³.
How many polymorphs of K2O2 are known?
191 structures of K2O2 are reported across 4 databases, spanning 33 distinct space groups.
What elements does K2O2 contain?
Potassium peroxide (K2O2) contains K and O (2 elements).
Where does the data for K2O2 come from?
K2O2 data is cross-referenced from materials_project, mpaloe, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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