O18Si18Th18
This compound is a complex silicate containing thorium. It is primarily studied for its structural properties and its role in mineralogical research related to radioactive elements.
OSiTh
Overview
Key Properties
Cross-validated computational properties for O18Si18Th18, 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.
0.63 eV
Range across DFT structures
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.
0.963 eV/atom
Best (lowest) across sources
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.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for O18Si18Th18, 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 | 0.63 | 0.9634 | -7.289 | 3.44 |
| No. 0 | unknown | — | — | — | 1.42 |
| No. 0 | unknown | — | — | — | 1.43 |
| — | — | — | — | — | 9.07 |
Uses
Applications
Where O18Si18Th18 is used.
Geological researchMaterials science studiesRadiological analysis
Intellectual Property
Patent Landscape
1 patent reference O18Si18Th18 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 8248032 | Charging system for prioritizing load consumption in a notebook computer | — | — |
Reference
Frequently Asked Questions
Common questions about O18Si18Th18, answered from cross-validated data.
What is O18Si18Th18?
This compound is a complex silicate containing thorium. It is primarily studied for its structural properties and its role in mineralogical research related to radioactive elements.
More questions
What is O18Si18Th18 used for?
O18Si18Th18 is used in geological research, materials science studies, and radiological analysis.
What is the band gap of O18Si18Th18?
O18Si18Th18 has a DFT-computed band gap of 0.63 eV across 4 reported structures.
Is O18Si18Th18 a metal, semiconductor, or insulator?
With a band gap up to 0.63 eV it is a semiconductor.
Is O18Si18Th18 thermodynamically stable?
O18Si18Th18 has a lowest energy above hull of 0.963 eV/atom (above hull).
What is the crystal structure of O18Si18Th18?
The lowest-energy reported polymorph of O18Si18Th18 is tetragonal symmetry, space group I41/amd (No. 141).
What is the density of O18Si18Th18?
The computed density of the ground-state structure of O18Si18Th18 is 3.44 g/cm³.
How many polymorphs of O18Si18Th18 are known?
4 structures of O18Si18Th18 are reported across 3 databases, spanning 2 distinct space groups.
What elements does O18Si18Th18 contain?
O18Si18Th18 contains O, Si, and Th (3 elements).
Where does the data for O18Si18Th18 come from?
O18Si18Th18 data is cross-referenced from materials_project, cod, omat24.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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