MgO
magnesium oxide · magnesia, periclase
Magnesium oxide is a stable, insulating ceramic material widely utilized for its high thermal resistance and structural durability.
About magnesium oxide
Magnesium oxide is a fundamental inorganic compound characterized by its status as a robust, wide-gap insulator. As a thermodynamically stable phase that sits firmly on the convex hull, it exhibits exceptional structural integrity and chemical resistance under demanding conditions.
This material is highly valued in industrial sectors for its ability to withstand extreme thermal environments. Its prevalence in research and manufacturing is underscored by the vast number of documented structural configurations, making it a cornerstone of modern materials science.
Key Properties
Cross-validated computational properties for magnesium oxide, aggregated across 5 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 MgO. 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 MgO, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 4.85 | 0.0000 | -3.035 | — |
| Fm-3m (No. 225) | cubic | 4.43 | 0.0000 | -6.328 | 3.63 |
| — | — | 4.97 | 0.0000 | -2.946 | — |
| — | — | 5.06 | 0.0000 | -2.946 | — |
| — | — | 4.97 | 0.0001 | -2.946 | — |
| — | — | 4.94 | 0.0001 | -2.946 | — |
| — | — | 4.97 | 0.0003 | -2.946 | — |
| — | — | 4.95 | 0.0005 | -2.946 | — |
| — | — | 5.08 | 0.0005 | -2.946 | — |
| — | — | 5.08 | 0.0005 | -2.946 | — |
| — | — | 4.96 | 0.0006 | -2.946 | — |
| — | — | 4.98 | 0.0013 | -2.945 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting MgO.
Applications
Where magnesium oxide is used.
Patent Landscape
48 patents reference MgO or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 12358810 | Co3O4/CuO/MgO and (Cu0.97Co0.03)O/MgO/CoO Nanocomposites and method of pechini sol-gel fabricating | — | — |
| 8227896 | Resistive switching in nitrogen-doped MgO | — | — |
| 4560669 | Silicon nitride sintered bodies of Si.sub.3 N.sub.4, Y.sub.2 O.sub.3, MgO and ZrO.sub.2 | — | — |
| 5972522 | Corrosion resistant Zn or part-Zn plated steel sheet with MgO coating free of Mg | — | — |
| 4293429 | MgO Dispensions | — | — |
| 9963773 | Durable MgO—MgF2 composite film for infrared anti-reflection coatings | — | — |
| 7258707 | AI2O3-La2O3-Y2O3-MgO ceramics, and methods of making the same | — | — |
| 11152195 | MgO-based ceramic film, member for semiconductor manufacturing apparatus, and method for forming MgO-based cer | — | — |
| 11345990 | MgO sintered sputtering target | — | — |
| 7479394 | MgO/NiFe MTJ for high performance MRAM application | — | — |
Frequently Asked Questions
Common questions about magnesium oxide, answered from cross-validated data.
What is MgO?
Magnesium oxide is a stable, insulating ceramic material widely utilized for its high thermal resistance and structural durability.
What is MgO used for?
What is the band gap of MgO?
Is MgO a metal, semiconductor, or insulator?
Is MgO thermodynamically stable?
What is the crystal structure of MgO?
What is the density of MgO?
How many polymorphs of MgO are known?
How is MgO synthesized?
What elements does MgO contain?
Where does the data for MgO come from?
How It Compares
As a foundational material, magnesium oxide serves as a primary benchmark for stability and insulating performance within the broader landscape of simple binary oxides.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
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