O8Si2Th2
O8Si2Th2 is a thermodynamically stable, insulating thorium silicate compound used primarily in fundamental materials research.
About O8Si2Th2
O8Si2Th2 is a complex oxide featuring thorium and silicon, characterized by its wide-band-gap insulating electronic profile. Its position on the convex hull confirms that it is a thermodynamically stable phase, making it a significant subject for structural analysis within the field of inorganic materials.
Due to its unique composition and stability, this compound serves as a key reference point for understanding the interactions between actinide elements and silicates. It is primarily investigated for its fundamental structural properties and its potential behavior in specialized high-temperature or radiation-resistant environments.
Key Properties
Cross-validated computational properties for O8Si2Th2, 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 O8Si2Th2, 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. |
|---|---|---|---|---|---|
| I41/amd (No. 141) | tetragonal | 4.89 | 0.0000 | -9.265 | 6.66 |
| P21/c (No. 14) | monoclinic | 4.65 | 0.0357 | -9.229 | 7.26 |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.82 |
| No. 0 | unknown | — | — | — | 1.81 |
Applications
Where O8Si2Th2 is used.
Frequently Asked Questions
Common questions about O8Si2Th2, answered from cross-validated data.
What is O8Si2Th2?
O8Si2Th2 is a thermodynamically stable, insulating thorium silicate compound used primarily in fundamental materials research.
What is O8Si2Th2 used for?
What is the band gap of O8Si2Th2?
Is O8Si2Th2 a metal, semiconductor, or insulator?
Is O8Si2Th2 thermodynamically stable?
What is the crystal structure of O8Si2Th2?
What is the density of O8Si2Th2?
How many polymorphs of O8Si2Th2 are known?
What elements does O8Si2Th2 contain?
Where does the data for O8Si2Th2 come from?
How It Compares
As a distinct inorganic oxide, O8Si2Th2 represents a specialized structural motif within the broader landscape of thorium-silicate materials. It stands out for its thermodynamic robustness, providing a baseline for stability that informs the synthesis and characterization of related actinide-based ceramics.
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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