Na6Ti2O7
Na6Ti2O7 is a layered sodium titanium oxide that functions as a wide-gap insulator with potential utility in electrochemical material research.
About Na6Ti2O7
Na6Ti2O7 belongs to the class of layered sodium transition-metal oxides, characterized by its insulating electronic nature. Its structural arrangement is typical of materials that facilitate ion mobility, making it a subject of interest for researchers exploring new electrode architectures.
As a near-hull compound, it is considered a viable candidate for experimental synthesis. Its stability profile suggests it could serve as a foundational building block for complex oxide systems in solid-state chemistry and energy-related applications.
Key Properties
Cross-validated computational properties for Na6Ti2O7, 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.
Reported Structures
Lowest-energy structures reported for Na6Ti2O7, 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. |
|---|---|---|---|---|---|
| P2/c (No. 13) | monoclinic | 3.53 | 0.0043 | -6.447 | 2.74 |
| C2/c (No. 15) | monoclinic | 3.78 | 0.0200 | -6.431 | 2.68 |
| Pc (No. 7) | monoclinic | 3.25 | 0.0402 | -6.411 | 2.46 |
| C2/m (No. 12) | monoclinic | 2.60 | 0.0788 | -6.373 | 2.34 |
| Pc (No. 7) | Monoclinic | — | — | — | 2.46 |
| Pc (No. 7) | Monoclinic | — | — | — | 2.55 |
| Pc (No. 7) | Monoclinic | — | — | — | 2.52 |
| P2/c (No. 13) | Monoclinic | — | — | — | 2.58 |
| P2/c (No. 13) | Monoclinic | — | — | — | 2.69 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.75 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.68 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.80 |
Applications
Where Na6Ti2O7 is used.
Frequently Asked Questions
Common questions about Na6Ti2O7, answered from cross-validated data.
What is Na6Ti2O7?
Na6Ti2O7 is a layered sodium titanium oxide that functions as a wide-gap insulator with potential utility in electrochemical material research.
What is Na6Ti2O7 used for?
What is the band gap of Na6Ti2O7?
Is Na6Ti2O7 a metal, semiconductor, or insulator?
Is Na6Ti2O7 thermodynamically stable?
What is the crystal structure of Na6Ti2O7?
What is the density of Na6Ti2O7?
How many polymorphs of Na6Ti2O7 are known?
What elements does Na6Ti2O7 contain?
Where does the data for Na6Ti2O7 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the family of layered sodium transition-metal oxides, Na6Ti2O7 occupies a distinct niche compared to more common members like NaCoO2 or NaFeO2. While many of its siblings are studied primarily for their redox-active transition metals, this compound offers a unique stoichiometric ratio that differentiates its structural framework from the more widely utilized Na2Ti3O7.
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).
- mpaloe — Data from mpaloe.
Analyze Na6Ti2O7 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →