Na4Ti3O8
Na4Ti3O8 is a metastable semiconducting layered oxide containing sodium and titanium, primarily researched for its potential use in energy storage applications.
About Na4Ti3O8
Na4Ti3O8 belongs to the class of layered sodium transition-metal oxides, characterized by a distinct structural arrangement that facilitates ion mobility. As a metastable semiconducting material, it represents a unique phase within the sodium-titanium-oxygen system, offering intriguing pathways for electrochemical exploration.
This compound is of significant interest to materials scientists investigating alternative electrode architectures. Its specific structural configuration and electronic nature make it a candidate for research into sodium-ion battery technologies, where structural stability and ion transport are critical for performance.
Key Properties
Cross-validated computational properties for Na4Ti3O8, 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 Na4Ti3O8, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 2.16 | 0.0827 | -7.422 | 3.39 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.39 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.56 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.48 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Na4Ti3O8 is used.
Frequently Asked Questions
Common questions about Na4Ti3O8, answered from cross-validated data.
What is Na4Ti3O8?
Na4Ti3O8 is a metastable semiconducting layered oxide containing sodium and titanium, primarily researched for its potential use in energy storage applications.
What is Na4Ti3O8 used for?
What is the band gap of Na4Ti3O8?
Is Na4Ti3O8 a metal, semiconductor, or insulator?
Is Na4Ti3O8 thermodynamically stable?
What is the crystal structure of Na4Ti3O8?
What is the density of Na4Ti3O8?
How many polymorphs of Na4Ti3O8 are known?
What elements does Na4Ti3O8 contain?
Where does the data for Na4Ti3O8 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the diverse family of layered sodium transition-metal oxides, Na4Ti3O8 occupies a specialized niche compared to more common members like Na2Ti3O7. While many siblings such as NaCoO2 or NaMnO2 are widely studied for their high-voltage cathode potential, Na4Ti3O8 is distinguished by its metastable nature and specific titanium-based stoichiometry, which sets it apart from the more thermodynamically stable or alkali-rich phases like Na2TiO3.
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).
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