MgO2
Magnesium peroxide · Magnesium dioxide
Magnesium peroxide is an insulating inorganic compound known for its role as a stable oxygen-releasing agent.
About Magnesium peroxide
Magnesium peroxide is an inorganic compound that functions as a wide-band-gap insulator. Its electronic structure and thermodynamic stability make it a subject of significant interest in materials science, with a high volume of structural data available across various databases.
This material is primarily valued for its ability to release oxygen in controlled environments. It serves as a key component in remediation technologies and specialized chemical processes where a stable, solid-state oxygen source is required.
Key Properties
Cross-validated computational properties for Magnesium 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of MgO2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for MgO2, 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. |
|---|---|---|---|---|---|
| — | — | 4.02 | 0.0019 | -1.993 | — |
| Pa-3 (No. 205) | cubic | 3.73 | 0.0148 | -5.853 | 3.32 |
| Pa-3 (No. 205) | cubic | 3.93 | 0.0736 | -1.953 | — |
| R-3m (No. 166) | trigonal | 2.38 | 0.0810 | -5.787 | 3.00 |
| R-3m (No. 166) | trigonal | 2.53 | 0.1381 | -1.889 | — |
| — | — | 2.19 | 0.1693 | -1.826 | — |
| — | — | 2.02 | 0.1875 | -1.808 | — |
| — | — | 2.26 | 0.2350 | -1.760 | — |
| — | — | 0.00 | 0.2773 | -1.718 | — |
| P-1 (No. 2) | triclinic | 2.51 | 0.2821 | -1.745 | — |
| — | — | 2.06 | 0.2856 | -1.710 | — |
| — | — | 1.80 | 0.3477 | -1.647 | — |
Applications
Where Magnesium peroxide is used.
Frequently Asked Questions
Common questions about Magnesium peroxide, answered from cross-validated data.
What is MgO2?
Magnesium peroxide is an insulating inorganic compound known for its role as a stable oxygen-releasing agent.
What is MgO2 used for?
What is the band gap of MgO2?
Is MgO2 a metal, semiconductor, or insulator?
Is MgO2 thermodynamically stable?
What is the crystal structure of MgO2?
What is the density of MgO2?
How many polymorphs of MgO2 are known?
What elements does MgO2 contain?
Where does the data for MgO2 come from?
How It Compares
As a unique peroxide in its category, magnesium peroxide occupies a distinct role in materials science research. Unlike many other alkaline earth metal oxides, its structural flexibility allows for diverse configurations, positioning it as a versatile candidate for chemical synthesis and oxygen-delivery applications.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
Analyze MgO2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →