As8Cs8O40Ti8
This compound is a complex inorganic crystalline material containing cesium, titanium, arsenic, and oxygen. It is primarily studied in academic research settings for its structural properties and potential behavior as a solid-state material.
Key Properties
Cross-validated computational properties for As8Cs8O40Ti8, 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 As8Cs8O40Ti8, 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 | 3.04 | 0.0000 | -7.317 | 4.31 |
| Pna21 (No. 33) | — | — | — | — | — |
| Pna21 (No. 33) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.13 |
| No. 0 | unknown | — | — | — | 1.13 |
Applications
Where As8Cs8O40Ti8 is used.
Frequently Asked Questions
Common questions about As8Cs8O40Ti8, answered from cross-validated data.
What is As8Cs8O40Ti8?
This compound is a complex inorganic crystalline material containing cesium, titanium, arsenic, and oxygen. It is primarily studied in academic research settings for its structural properties and potential behavior as a solid-state material.
What is As8Cs8O40Ti8 used for?
What is the band gap of As8Cs8O40Ti8?
Is As8Cs8O40Ti8 a metal, semiconductor, or insulator?
Is As8Cs8O40Ti8 thermodynamically stable?
What is the crystal structure of As8Cs8O40Ti8?
What is the density of As8Cs8O40Ti8?
How many polymorphs of As8Cs8O40Ti8 are known?
What elements does As8Cs8O40Ti8 contain?
Where does the data for As8Cs8O40Ti8 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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