MgTa2O6
magnesium tantalate
Magnesium tantalate is a stable, insulating ceramic material used in electronic and dielectric research.
About magnesium tantalate
Magnesium tantalate is a thermodynamically stable oxide that occupies a position on the convex hull, indicating robust structural integrity. As a wide-band-gap insulator, it possesses electronic properties that make it an attractive candidate for applications requiring dielectric stability.
This material has been characterized across multiple structural databases, reflecting significant scientific interest in its crystalline arrangements. Its combination of stability and insulating behavior positions it as a versatile component in advanced materials research.
Key Properties
Cross-validated computational properties for magnesium tantalate, 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 MgTa2O6. 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 MgTa2O6, 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. |
|---|---|---|---|---|---|
| — | — | 3.06 | 0.0000 | -3.157 | — |
| P42/mnm (No. 136) | tetragonal | 2.89 | 0.0000 | -3.103 | — |
| P42/mnm (No. 136) | tetragonal | 2.84 | 0.0000 | -9.443 | 7.79 |
| — | — | 3.22 | 0.0048 | -3.152 | — |
| Pmn21 (No. 31) | orthorhombic | 3.09 | 0.0612 | -9.381 | 7.30 |
| Pmn21 (No. 31) | orthorhombic | 3.12 | 0.0733 | -3.030 | — |
| P42/mnm (No. 136) | tetragonal | — | — | — | 7.82 |
| Pmn21 (No. 31) | orthorhombic | — | — | — | 7.80 |
| P42/mnm (No. 136) | tetragonal | — | — | — | 7.74 |
| Pmn21 (No. 31) | orthorhombic | — | — | — | 7.30 |
| P42/mnm (No. 136) | tetragonal | — | — | — | 8.08 |
| P42/mnm (No. 136) | tetragonal | — | — | — | 7.57 |
Synthesis Routes
Literature-extracted synthesis procedures targeting MgTa2O6.
Applications
Where magnesium tantalate is used.
Frequently Asked Questions
Common questions about magnesium tantalate, answered from cross-validated data.
What is MgTa2O6?
Magnesium tantalate is a stable, insulating ceramic material used in electronic and dielectric research.
What is MgTa2O6 used for?
What is the band gap of MgTa2O6?
Is MgTa2O6 a metal, semiconductor, or insulator?
Is MgTa2O6 thermodynamically stable?
What is the crystal structure of MgTa2O6?
How many polymorphs of MgTa2O6 are known?
How is MgTa2O6 synthesized?
What elements does MgTa2O6 contain?
Where does the data for MgTa2O6 come from?
How It Compares
As a standalone representative of its specific tantalate composition, MgTa2O6 serves as a benchmark for stability within the broader family of magnesium-based metal oxides, demonstrating how the incorporation of tantalum influences the dielectric and structural landscape.
Data sources & attribution
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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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