Tb2Ti2O7
terbium titanate · terbium titanium oxide
Tb2Ti2O7 is a stable, insulating terbium titanium oxide used in advanced materials research.
About terbium titanate
Tb2Ti2O7 is a thermodynamically stable oxide that functions as a wide-gap insulator. Its electronic structure and inherent stability make it a subject of interest for researchers investigating complex oxide systems and their fundamental physical properties.
This compound is primarily utilized in academic and industrial research settings where stable dielectric or insulating materials are required. Its structural configuration allows for diverse applications in materials engineering, particularly where high-temperature stability is a critical factor.
Key Properties
Cross-validated computational properties for terbium titanate, 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 Tb2Ti2O7. 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 Tb2Ti2O7, 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 (No. 4) | monoclinic | 3.01 | 0.0000 | -9.213 | 6.75 |
| Fd-3m (No. 227) | cubic | 2.75 | 0.0000 | -3.582 | — |
| — | — | 2.67 | 0.0039 | -3.439 | — |
| Fd-3m (No. 227) | cubic | 2.73 | 0.0105 | -9.203 | 6.73 |
| P41212 (No. 92) | tetragonal | 3.90 | 0.0190 | -9.194 | 5.57 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Tb2Ti2O7.
Applications
Where terbium titanate is used.
Frequently Asked Questions
Common questions about terbium titanate, answered from cross-validated data.
What is Tb2Ti2O7?
Tb2Ti2O7 is a stable, insulating terbium titanium oxide used in advanced materials research.
What is Tb2Ti2O7 used for?
What is the band gap of Tb2Ti2O7?
Is Tb2Ti2O7 a metal, semiconductor, or insulator?
Is Tb2Ti2O7 thermodynamically stable?
What is the crystal structure of Tb2Ti2O7?
How many polymorphs of Tb2Ti2O7 are known?
How is Tb2Ti2O7 synthesized?
What elements does Tb2Ti2O7 contain?
Where does the data for Tb2Ti2O7 come from?
How It Compares
As a member of the broader family of rare-earth titanates, Tb2Ti2O7 represents a stable crystalline phase that serves as a foundational reference point for understanding the behavior of complex oxides in this chemical space.
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)
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