MgTiO3
Magnesium titanate · Geikielite
Magnesium titanate is a stable, insulating oxide ceramic widely used for its dielectric properties in electronic components.
About Magnesium titanate
Magnesium titanate is a thermodynamically stable oxide that functions as a wide-gap insulator. Its robust structural integrity and electronic properties make it a reliable material for high-frequency applications and dielectric components.
Due to its stability, this compound is frequently utilized in the development of advanced ceramic materials. It serves as a foundational building block in various technological sectors requiring stable, non-conductive oxide frameworks.
Key Properties
Cross-validated computational properties for Magnesium titanate, 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 MgTiO3. 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 MgTiO3, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 3.53 | 0.0000 | -8.237 | 3.89 |
| R-3 (No. 148) | trigonal | 3.52 | 0.0000 | -3.210 | — |
| — | — | 3.50 | 0.0127 | -3.176 | — |
| — | — | 3.20 | 0.0347 | -3.153 | — |
| — | — | 3.27 | 0.0421 | -3.146 | — |
| Pnma (No. 62) | orthorhombic | 2.35 | 0.0767 | -3.134 | — |
| Pnma (No. 62) | orthorhombic | 2.33 | 0.0829 | -8.154 | 3.95 |
| — | — | 3.30 | 0.0854 | -3.103 | — |
| — | — | 2.30 | 0.0945 | -3.094 | — |
| — | — | 2.32 | 0.1336 | -3.055 | — |
| Cm (No. 8) | monoclinic | 2.86 | 0.1662 | -3.044 | — |
| — | — | 2.52 | 0.2576 | -2.931 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting MgTiO3.
Applications
Where Magnesium titanate is used.
Patent Landscape
1 patent reference MgTiO3 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 4226735 | Dielectric ceramic composition and process for its production containing MgTiO.sub.3 and Pb.sub.3 O.sub.4 havi | — | — |
Frequently Asked Questions
Common questions about Magnesium titanate, answered from cross-validated data.
What is MgTiO3?
Magnesium titanate is a stable, insulating oxide ceramic widely used for its dielectric properties in electronic components.
What is MgTiO3 used for?
What is the band gap of MgTiO3?
Is MgTiO3 a metal, semiconductor, or insulator?
Is MgTiO3 thermodynamically stable?
What is the crystal structure of MgTiO3?
What is the density of MgTiO3?
How many polymorphs of MgTiO3 are known?
How is MgTiO3 synthesized?
What elements does MgTiO3 contain?
Where does the data for MgTiO3 come from?
How It Compares
As a prominent member of the titanate family, magnesium titanate is valued for its structural reliability and insulating nature, serving as a versatile reference point for dielectric performance in oxide-based materials science.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- 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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