Nd2Ti2O7
neodymium dititanate · Nd2Ti2O7
Nd2Ti2O7 is a stable, semiconducting perovskite oxide used in advanced materials research for its structural durability and electronic potential.
About neodymium dititanate
Nd2Ti2O7 is a thermodynamically stable member of the perovskite oxide family, characterized by its reliable structural integrity. As a semiconducting material, it offers distinct electronic properties that make it a subject of interest for specialized ceramic and dielectric applications. Its position on the convex hull underscores its robustness under standard conditions, ensuring it remains a consistent subject for materials characterization. The compound is primarily studied for its potential in high-performance electronic components and as a stable host lattice for various functional dopants. Its ability to maintain a stable crystalline framework makes it a valuable candidate for research into advanced oxide-based technologies.
Key Properties
Cross-validated computational properties for neodymium dititanate, 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.
Reported Structures
Lowest-energy structures reported for Nd2Ti2O7, 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 | 2.96 | 0.0000 | -9.182 | 6.04 |
| Fd-3m (No. 227) | cubic | 2.74 | 0.0402 | -9.142 | 6.03 |
| Fd-3m (No. 227) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 3.06 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Nd2Ti2O7.
Applications
Where neodymium dititanate is used.
Frequently Asked Questions
Common questions about neodymium dititanate, answered from cross-validated data.
What is Nd2Ti2O7?
Nd2Ti2O7 is a stable, semiconducting perovskite oxide used in advanced materials research for its structural durability and electronic potential.
What is Nd2Ti2O7 used for?
What is the band gap of Nd2Ti2O7?
Is Nd2Ti2O7 a metal, semiconductor, or insulator?
Is Nd2Ti2O7 thermodynamically stable?
What is the crystal structure of Nd2Ti2O7?
What is the density of Nd2Ti2O7?
How many polymorphs of Nd2Ti2O7 are known?
How is Nd2Ti2O7 synthesized?
What elements does Nd2Ti2O7 contain?
Where does the data for Nd2Ti2O7 come from?
How It Compares
Within the perovskite oxides class.
Within the diverse landscape of perovskite oxides, Nd2Ti2O7 stands out for its inherent thermodynamic stability compared to more complex or volatile members like LaNiO3 or LaMnO3. While many perovskites in this class, such as BaTiO3, are widely utilized for their ferroelectric properties, Nd2Ti2O7 is distinguished by its specific semiconducting character and structural resilience, positioning it as a specialized alternative to the more commonly studied lanthanum-based perovskites like LaAlO3 or LaFeO3.
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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