Na2O2
Sodium peroxide · Solozone, Sodium dioxide
Sodium peroxide is a yellowish white solid that reacts vigorously with water and other substances. It is primarily used as an oxidizing agent and a source of oxygen in specialized environments where air regeneration is required.
NaO
Overview
Key Properties
Cross-validated computational properties for Sodium peroxide, 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.
1.74 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
154
3 databases, 22 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Na2O2, 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. |
|---|---|---|---|---|---|
| P-62m (No. 189) | hexagonal | 1.74 | 0.0000 | -4.443 | 2.69 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.2136 | -4.229 | 2.56 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.2419 | -4.201 | 2.69 |
| R-3m (No. 166) | trigonal | 0.00 | 0.2549 | -4.188 | 2.58 |
| Pbcm (No. 57) | orthorhombic | 0.00 | 0.2793 | -4.164 | 2.45 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 1.05 |
| P1 (No. 1) | Triclinic | — | — | — | 1.22 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.98 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.99 |
| P1 (No. 1) | Triclinic | — | — | — | 2.23 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 1.15 |
| P1 (No. 1) | Triclinic | — | — | — | 1.69 |
Uses
Applications
Where Sodium peroxide is used.
Oxygen generation in submarinesBleaching agent for textiles and paper pulpChemical synthesis reagentLaboratory oxidation processes
Reference
Frequently Asked Questions
Common questions about Sodium peroxide, answered from cross-validated data.
What is Na2O2?
Sodium peroxide is a yellowish white solid that reacts vigorously with water and other substances. It is primarily used as an oxidizing agent and a source of oxygen in specialized environments where air regeneration is required.
More questions
What is Na2O2 used for?
Sodium peroxide (Na2O2) is used in oxygen generation in submarines, bleaching agent for textiles and paper pulp, chemical synthesis reagent, and laboratory oxidation processes.
What is the band gap of Na2O2?
Sodium peroxide (Na2O2) has a DFT-computed band gap of 1.74 eV across 154 reported structures.
Is Na2O2 a metal, semiconductor, or insulator?
With a band gap up to 1.74 eV it is a semiconductor.
Is Na2O2 thermodynamically stable?
Yes — Sodium peroxide (Na2O2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Na2O2?
The lowest-energy reported polymorph of Sodium peroxide (Na2O2) is hexagonal symmetry, space group P-62m (No. 189).
What is the density of Na2O2?
The computed density of the ground-state structure of Sodium peroxide (Na2O2) is 2.69 g/cm³.
How many polymorphs of Na2O2 are known?
154 structures of Na2O2 are reported across 3 databases, spanning 22 distinct space groups.
What elements does Na2O2 contain?
Sodium peroxide (Na2O2) contains Na and O (2 elements).
Where does the data for Na2O2 come from?
Na2O2 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
Analyze Na2O2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →