Ti8O13
Ti8O13 is a semiconducting titanium oxide phase that is considered thermodynamically stable and potentially synthesizable.
About Ti8O13
Ti8O13 is a semiconducting titanium oxide that exists as a discrete phase within the complex titanium-oxygen binary system. Its electronic properties and structural configuration make it an intriguing subject for researchers investigating the transition between metallic and insulating oxide states.
Because it is identified as a near-hull material, Ti8O13 is considered thermodynamically accessible and likely synthesizable under controlled experimental conditions. Its presence in multiple structural databases highlights its significance in understanding the diverse stoichiometry of titanium oxides.
Key Properties
Cross-validated computational properties for Ti8O13, 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 Ti8O13, 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-3 (No. 148) | trigonal | 0.11 | 0.0100 | -9.424 | 4.05 |
| R-3 (No. 148) | Trigonal | — | — | — | 3.97 |
| R-3 (No. 148) | Trigonal | — | — | — | 4.17 |
| R-3 (No. 148) | Trigonal | — | — | — | 4.05 |
| P-1 (No. 2) | triclinic | — | — | — | 1.17 |
| No. 0 | unknown | — | — | — | 2.33 |
| R-3 (No. 148) | — | — | — | — | — |
Applications
Where Ti8O13 is used.
Frequently Asked Questions
Common questions about Ti8O13, answered from cross-validated data.
What is Ti8O13?
Ti8O13 is a semiconducting titanium oxide phase that is considered thermodynamically stable and potentially synthesizable.
What is Ti8O13 used for?
What is the band gap of Ti8O13?
Is Ti8O13 a metal, semiconductor, or insulator?
Is Ti8O13 thermodynamically stable?
What is the crystal structure of Ti8O13?
What is the density of Ti8O13?
How many polymorphs of Ti8O13 are known?
What elements does Ti8O13 contain?
Where does the data for Ti8O13 come from?
How It Compares
As a member of the titanium oxide family, Ti8O13 occupies a specific niche in the stoichiometry spectrum, serving as a bridge between more common oxides. It contributes to the broader understanding of how oxygen coordination influences the electronic behavior of titanium-based materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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