NaTiO2
NaTiO2 is a layered sodium-titanium oxide that functions as a semimetallic material with potential applications in electrochemical energy storage.
About NaTiO2
NaTiO2 is a member of the layered sodium transition-metal oxide family, characterized by its near-zero-gap electronic structure. This semimetallic behavior makes it an intriguing subject for research into advanced energy storage materials where efficient charge transport is essential.
As a material that sits near the thermodynamic hull, it is considered a promising candidate for experimental synthesis. Its structural flexibility and the presence of titanium suggest potential utility in electrochemical applications, particularly as a host material for sodium-ion migration.
Key Properties
Cross-validated computational properties for NaTiO2, aggregated across 4 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 NaTiO2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.0081 | -7.566 | 4.02 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0427 | -7.532 | 3.99 |
| Pbca (No. 61) | orthorhombic | 0.09 | 0.0821 | -7.492 | 3.35 |
| Fd-3m (No. 227) | Cubic | — | — | — | 3.99 |
| Fd-3m (No. 227) | Cubic | — | — | — | 4.18 |
| Fd-3m (No. 227) | Cubic | — | — | — | 4.10 |
| P4mm (No. 99) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Pbca (No. 61) | Orthorhombic | — | — | — | 3.47 |
| P4mm (No. 99) | — | — | — | — | — |
| Imm2 (No. 44) | orthorhombic | — | — | — | 0.87 |
| Pbca (No. 61) | Orthorhombic | — | — | — | 3.35 |
Applications
Where NaTiO2 is used.
Frequently Asked Questions
Common questions about NaTiO2, answered from cross-validated data.
What is NaTiO2?
NaTiO2 is a layered sodium-titanium oxide that functions as a semimetallic material with potential applications in electrochemical energy storage.
What is NaTiO2 used for?
What is the band gap of NaTiO2?
Is NaTiO2 a metal, semiconductor, or insulator?
Is NaTiO2 thermodynamically stable?
What is the crystal structure of NaTiO2?
What is the density of NaTiO2?
How many polymorphs of NaTiO2 are known?
What elements does NaTiO2 contain?
Where does the data for NaTiO2 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the diverse landscape of layered sodium transition-metal oxides, NaTiO2 occupies a unique niche compared to more common battery materials like NaCoO2 or NaNiO2. While many of its siblings are well-established as high-performance cathode materials, NaTiO2 is distinguished by its distinct electronic character, offering a different pathway for charge carrier dynamics compared to the more insulating or semiconducting oxides in the group.
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.
- 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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