Na2Ti3O7
sodium trititanate · sodium titanium oxide
Na2Ti3O7 is a stable, semiconducting layered oxide used primarily in the research and development of sodium-ion battery technology.
About sodium trititanate
Na2Ti3O7 is a thermodynamically stable layered sodium transition-metal oxide characterized by its semiconducting electronic structure. Its unique structural arrangement, which sits firmly on the convex hull, provides a robust framework for ion intercalation and transport. This stability makes it a subject of significant interest for researchers investigating long-life battery technologies.
As a member of the broader family of sodium-based oxides, this compound leverages its layered geometry to facilitate the insertion and extraction of sodium ions. Its predictable structural behavior and reliable synthesis pathways allow it to serve as a foundational material in the development of next-generation sodium-ion battery electrodes.
Key Properties
Cross-validated computational properties for sodium trititanate, 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 Na2Ti3O7, 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/m (No. 11) | monoclinic | 3.00 | 0.0000 | -8.244 | 3.46 |
| P21/m (No. 11) | — | — | — | — | — |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.46 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.46 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.46 |
Applications
Where sodium trititanate is used.
Frequently Asked Questions
Common questions about sodium trititanate, answered from cross-validated data.
What is Na2Ti3O7?
Na2Ti3O7 is a stable, semiconducting layered oxide used primarily in the research and development of sodium-ion battery technology.
What is Na2Ti3O7 used for?
What is the band gap of Na2Ti3O7?
Is Na2Ti3O7 a metal, semiconductor, or insulator?
Is Na2Ti3O7 thermodynamically stable?
What is the crystal structure of Na2Ti3O7?
What is the density of Na2Ti3O7?
How many polymorphs of Na2Ti3O7 are known?
What elements does Na2Ti3O7 contain?
Where does the data for Na2Ti3O7 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the diverse family of layered sodium transition-metal oxides, Na2Ti3O7 is distinguished by its specific stoichiometry and titanium-based framework, which contrasts with the more common cobalt or nickel-based variants like NaCoO2 or NaNiO2. While many members of this class are explored primarily for their high-voltage cathode potential, this titanium-rich compound is frequently investigated for its role in anode applications, offering a different electrochemical profile compared to the transition-metal-heavy structures like NaFeO2 or NaMnO2.
Related Compounds
Other Layered Sodium Transition-Metal 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).
- mpaloe — Data from mpaloe.
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