O40P8Ti8Tl8
This compound is a complex thallium titanium phosphate material characterized by its specific crystalline framework. It is primarily studied in academic research for its structural properties and potential behavior in solid-state chemistry applications.
Key Properties
Cross-validated computational properties for O40P8Ti8Tl8, 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 O40P8Ti8Tl8, 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. |
|---|---|---|---|---|---|
| Pna21 (No. 33) | orthorhombic | 2.75 | 0.0000 | -7.839 | 5.23 |
| Pnna (No. 52) | orthorhombic | 2.46 | 0.0036 | -7.835 | 5.26 |
| Pna21 (No. 33) | orthorhombic | — | — | — | 1.37 |
| Pna21 (No. 33) | — | — | — | — | — |
| Pna21 (No. 33) | — | — | — | — | — |
Applications
Where O40P8Ti8Tl8 is used.
Frequently Asked Questions
Common questions about O40P8Ti8Tl8, answered from cross-validated data.
What is O40P8Ti8Tl8?
This compound is a complex thallium titanium phosphate material characterized by its specific crystalline framework. It is primarily studied in academic research for its structural properties and potential behavior in solid-state chemistry applications.
What is O40P8Ti8Tl8 used for?
What is the band gap of O40P8Ti8Tl8?
Is O40P8Ti8Tl8 a metal, semiconductor, or insulator?
Is O40P8Ti8Tl8 thermodynamically stable?
What is the crystal structure of O40P8Ti8Tl8?
What is the density of O40P8Ti8Tl8?
How many polymorphs of O40P8Ti8Tl8 are known?
What elements does O40P8Ti8Tl8 contain?
Where does the data for O40P8Ti8Tl8 come from?
Related Compounds
Other Transition-Metal Phosphates in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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