Na2Ti2O5
Na2Ti2O5 is a layered sodium transition-metal oxide that functions as a wide-gap insulator with potential utility in energy storage research.
About Na2Ti2O5
Na2Ti2O5 is a layered sodium transition-metal oxide characterized by its insulating electronic structure. As a near-hull material, it represents a promising candidate for synthesis and further exploration within the family of sodium-based oxides.
Its structural arrangement makes it a subject of interest for researchers investigating ion transport and stability in battery materials. By leveraging its specific transition-metal framework, this compound contributes to the ongoing development of efficient energy storage technologies.
Key Properties
Cross-validated computational properties for Na2Ti2O5, 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 Na2Ti2O5, 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. |
|---|---|---|---|---|---|
| Pbcn (No. 60) | orthorhombic | 3.87 | 0.0131 | -7.821 | 2.48 |
| C2/m (No. 12) | monoclinic | 3.06 | 0.0190 | -7.816 | 3.03 |
| P21/c (No. 14) | monoclinic | 3.85 | 0.0266 | -7.808 | 2.47 |
| P21/c (No. 14) | monoclinic | 3.70 | 0.0311 | -7.803 | 2.37 |
| P21/c (No. 14) | monoclinic | 3.88 | 0.0313 | -7.803 | 2.53 |
| Pna21 (No. 33) | orthorhombic | 3.80 | 0.0356 | -7.799 | 2.56 |
| Pca21 (No. 29) | orthorhombic | 3.87 | 0.0555 | -7.779 | 2.70 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.93 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.05 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.99 |
Applications
Where Na2Ti2O5 is used.
Frequently Asked Questions
Common questions about Na2Ti2O5, answered from cross-validated data.
What is Na2Ti2O5?
Na2Ti2O5 is a layered sodium transition-metal oxide that functions as a wide-gap insulator with potential utility in energy storage research.
What is Na2Ti2O5 used for?
What is the band gap of Na2Ti2O5?
Is Na2Ti2O5 a metal, semiconductor, or insulator?
Is Na2Ti2O5 thermodynamically stable?
What is the crystal structure of Na2Ti2O5?
What is the density of Na2Ti2O5?
How many polymorphs of Na2Ti2O5 are known?
What elements does Na2Ti2O5 contain?
Where does the data for Na2Ti2O5 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the broader class of layered sodium transition-metal oxides, Na2Ti2O5 occupies a distinct niche compared to more common members like NaCoO2 or NaFeO2. While many of its siblings are known for their metallic or semi-metallic behavior, this titanium-based oxide stands out for its wide-gap insulating nature, positioning it differently in terms of potential electrochemical performance and electronic applications than the more conductive NaMnO2 or NaNiO2.
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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