La2MgTiO6
La2MgTiO6 is a wide-band-gap insulating oxide that is thermodynamically stable and serves as a promising candidate for advanced dielectric research.
About La2MgTiO6
La2MgTiO6 is a complex oxide featuring lanthanum, magnesium, and titanium. As a wide-band-gap insulator, it exhibits electronic properties characteristic of stable dielectric materials, making it a candidate for research into advanced ceramic components. Its structural configuration is supported by multiple reported entries across databases, suggesting a robust framework that is amenable to synthesis. The material's thermodynamic proximity to the hull indicates that it is a viable candidate for experimental investigation in solid-state chemistry. By balancing its constituent elements, this compound serves as a platform for exploring insulating behavior in perovskite-related oxides.
Key Properties
Cross-validated computational properties for La2MgTiO6, 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 La2MgTiO6. 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 La2MgTiO6, 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 | 3.19 | 0.0000 | -3.548 | — |
| — | — | 3.15 | 0.0048 | -3.511 | — |
| P21/c (No. 14) | monoclinic | 3.15 | 0.0081 | -8.592 | 5.91 |
| — | — | 3.17 | 0.0132 | -3.502 | — |
| R-3 (No. 148) | trigonal | 0.00 | 0.0199 | -8.580 | 5.95 |
| P21/c (No. 14) | monoclinic | — | — | — | 6.16 |
| R-3 (No. 148) | trigonal | — | — | — | 6.08 |
| P21/c (No. 14) | monoclinic | — | — | — | 5.91 |
| R-3 (No. 148) | trigonal | — | — | — | 5.95 |
| P21/c (No. 14) | monoclinic | — | — | — | 6.03 |
| R-3 (No. 148) | trigonal | — | — | — | 6.23 |
Synthesis Routes
Literature-extracted synthesis procedures targeting La2MgTiO6.
Applications
Where La2MgTiO6 is used.
Frequently Asked Questions
Common questions about La2MgTiO6, answered from cross-validated data.
What is La2MgTiO6?
La2MgTiO6 is a wide-band-gap insulating oxide that is thermodynamically stable and serves as a promising candidate for advanced dielectric research.
What is La2MgTiO6 used for?
What is the band gap of La2MgTiO6?
Is La2MgTiO6 a metal, semiconductor, or insulator?
Is La2MgTiO6 thermodynamically stable?
What is the crystal structure of La2MgTiO6?
How many polymorphs of La2MgTiO6 are known?
How is La2MgTiO6 synthesized?
What elements does La2MgTiO6 contain?
Where does the data for La2MgTiO6 come from?
How It Compares
As a member of the complex lanthanum-based oxide family, La2MgTiO6 occupies a distinct niche where its insulating nature and structural stability allow it to function as a foundational material for dielectric research. Unlike more conductive or metallic oxides, this compound prioritizes electronic isolation, positioning it as a specialized building block for future technological applications where stable, wide-gap materials are required.
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)
- 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)
- 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.
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