MgSi2O5
MgSi2O5 is an insulating magnesium silicate compound that exists as a metastable phase within its chemical system.
About MgSi2O5
MgSi2O5 is an insulating compound composed of magnesium, silicon, and oxygen. As a wide-band-gap material, it exhibits electronic properties characteristic of dielectric oxides, making it a subject of interest for fundamental structural research.
While the compound is currently identified as being above the hull, suggesting it is thermodynamically unstable under standard conditions, it remains a notable entry in structural databases. Its existence across multiple reported structures highlights the complexity of magnesium-silicate phase spaces.
Key Properties
Cross-validated computational properties for MgSi2O5, aggregated across 2 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 MgSi2O5. 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 MgSi2O5, 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. |
|---|---|---|---|---|---|
| Pbam (No. 55) | orthorhombic | 5.22 | 0.1358 | -2.844 | — |
| Pbam (No. 55) | orthorhombic | 5.01 | 0.1698 | -7.730 | 3.70 |
| Pbam (No. 55) | orthorhombic | — | — | — | 3.80 |
| Pbam (No. 55) | orthorhombic | — | — | — | 3.93 |
| Pbam (No. 55) | orthorhombic | — | — | — | 3.70 |
Synthesis Routes
Literature-extracted synthesis procedures targeting MgSi2O5.
Frequently Asked Questions
Common questions about MgSi2O5, answered from cross-validated data.
What is MgSi2O5?
MgSi2O5 is an insulating magnesium silicate compound that exists as a metastable phase within its chemical system.
What is the band gap of MgSi2O5?
Is MgSi2O5 a metal, semiconductor, or insulator?
Is MgSi2O5 thermodynamically stable?
What is the crystal structure of MgSi2O5?
How many polymorphs of MgSi2O5 are known?
How is MgSi2O5 synthesized?
What elements does MgSi2O5 contain?
Where does the data for MgSi2O5 come from?
How It Compares
As a unique phase within the magnesium-silicate system, MgSi2O5 represents a specialized structural arrangement that sits apart from more common, stable silicate minerals. Its status as a metastable or unstable phase makes it a distinct case study for understanding high-pressure or non-equilibrium synthesis pathways in inorganic chemistry.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze MgSi2O5 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →