MgMnSiO4
MgMnSiO4 is a stable, insulating silicate compound known for its diverse structural configurations.
About MgMnSiO4
MgMnSiO4 is a complex silicate compound characterized by its insulating electronic nature and robust thermodynamic stability. As a member of the silicate family, it sits securely on the convex hull, indicating a highly favorable energetic state that makes it a significant subject for structural analysis.
Its structural versatility is evidenced by multiple reported configurations across various databases. This diversity in atomic arrangement highlights its importance in understanding phase transitions and stability within complex mineral-like systems.
Key Properties
Cross-validated computational properties for MgMnSiO4, 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 MgMnSiO4. 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 MgMnSiO4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 3.13 | 0.0000 | -8.052 | 3.54 |
| — | — | 2.73 | 0.0000 | -2.826 | — |
| Pnma (No. 62) | orthorhombic | 1.76 | 0.0294 | -2.554 | — |
| Pnma (No. 62) | orthorhombic | — | — | — | 3.70 |
| Pnma (No. 62) | orthorhombic | — | — | — | 3.67 |
| Pnma (No. 62) | orthorhombic | — | — | — | 3.57 |
| Pnma (No. 62) | orthorhombic | — | — | — | 3.62 |
| Pnma (No. 62) | orthorhombic | — | — | — | 3.65 |
| Pnma (No. 62) | orthorhombic | — | — | — | 3.60 |
| Pnma (No. 62) | orthorhombic | — | — | — | 3.56 |
| Pnma (No. 62) | orthorhombic | — | — | — | 3.70 |
| Pnma (No. 62) | orthorhombic | — | — | — | 3.61 |
Applications
Where MgMnSiO4 is used.
Frequently Asked Questions
Common questions about MgMnSiO4, answered from cross-validated data.
What is MgMnSiO4?
MgMnSiO4 is a stable, insulating silicate compound known for its diverse structural configurations.
What is MgMnSiO4 used for?
What is the band gap of MgMnSiO4?
Is MgMnSiO4 a metal, semiconductor, or insulator?
Is MgMnSiO4 thermodynamically stable?
What is the crystal structure of MgMnSiO4?
What is the density of MgMnSiO4?
How many polymorphs of MgMnSiO4 are known?
What elements does MgMnSiO4 contain?
Where does the data for MgMnSiO4 come from?
How It Compares
As a thermodynamically stable silicate, MgMnSiO4 represents a fundamental building block for exploring the structural diversity of magnesium-manganese-based ceramics and mineral analogs.
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)
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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