MgO3Si
MgO3Si is a wide-gap insulating magnesium silicate compound that is theoretically stable and serves as a subject of interest for structural materials research.
About MgO3Si
MgO3Si is an insulating compound composed of magnesium, oxygen, and silicon. Its electronic structure is characterized by a wide band gap, which is typical for stable oxide-based materials that exhibit insulating behavior in their ground state. The material is considered near-hull in terms of thermodynamic stability, suggesting it is a viable candidate for experimental synthesis and further laboratory investigation. With numerous reported structures across multiple databases, it represents a significant subject for structural analysis within the field of inorganic chemistry. This compound is of particular interest to researchers investigating the fundamental properties of ternary magnesium silicates and their potential applications in high-performance dielectric or structural systems.
Key Properties
Cross-validated computational properties for MgO3Si, 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.
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 MgO3Si. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for MgO3Si, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for MgO3Si, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.00 | 0.0077 | -7.603 | 3.22 |
| Pbca (No. 61) | orthorhombic | 4.70 | 0.0079 | -7.603 | 3.08 |
| Pbcn (No. 60) | orthorhombic | 4.61 | 0.0083 | -7.603 | 3.11 |
| C2/c (No. 15) | monoclinic | 4.54 | 0.0094 | -7.602 | 3.10 |
| P21/c (No. 14) | monoclinic | 4.64 | 0.0102 | -7.601 | 3.05 |
| P2/c (No. 13) | monoclinic | 4.57 | 0.0105 | -7.600 | 3.00 |
| Pc (No. 7) | monoclinic | 4.54 | 0.0112 | -7.600 | 2.99 |
| Pca21 (No. 29) | orthorhombic | 4.59 | 0.0112 | -7.600 | 3.00 |
| Pna21 (No. 33) | orthorhombic | 4.64 | 0.0119 | -7.599 | 2.98 |
| Pna21 (No. 33) | orthorhombic | 4.68 | 0.0126 | -7.598 | 3.18 |
| Pc (No. 7) | monoclinic | 4.54 | 0.0128 | -7.598 | 3.03 |
| P2/c (No. 13) | monoclinic | 4.58 | 0.0168 | -7.594 | 3.04 |
Synthesis Routes
Literature-extracted synthesis procedures targeting MgO3Si.
Applications
Where MgO3Si is used.
Frequently Asked Questions
Common questions about MgO3Si, answered from cross-validated data.
What is MgO3Si?
MgO3Si is a wide-gap insulating magnesium silicate compound that is theoretically stable and serves as a subject of interest for structural materials research.
What is MgO3Si used for?
What is the band gap of MgO3Si?
Is MgO3Si a metal, semiconductor, or insulator?
Is MgO3Si thermodynamically stable?
What is the crystal structure of MgO3Si?
What is the density of MgO3Si?
How many polymorphs of MgO3Si are known?
How is MgO3Si synthesized?
What elements does MgO3Si contain?
Where does the data for MgO3Si come from?
How It Compares
As a distinct ternary oxide, MgO3Si occupies a unique position in the landscape of magnesium-silicon-oxygen materials. While many silicates are well-characterized in geological and industrial contexts, this specific stoichiometry offers a specialized structural configuration that warrants further comparison against more common silicate phases to determine its specific utility in extreme environments.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
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