C16Ca8H16O40
C16Ca8H16O40 is a metastable, insulating compound composed of carbon, calcium, hydrogen, and oxygen that is primarily studied for its unique structural and electronic properties.
About C16Ca8H16O40
C16Ca8H16O40 is a complex, multi-element material characterized by its wide-band-gap insulating nature. As a metastable phase, it represents a specific structural arrangement of carbon, calcium, hydrogen, and oxygen that exists in a delicate energetic state. Its electronic properties suggest potential utility in applications requiring stable insulating barriers or specialized dielectric environments.
Given its status as a metastable compound, this material is of significant interest for fundamental studies into phase stability and chemical synthesis pathways. Researchers investigate such structures to understand how complex atomic configurations can be stabilized or manipulated for future technological integration.
Key Properties
Cross-validated computational properties for C16Ca8H16O40, 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 C16Ca8H16O40, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.61 | 0.0362 | -7.157 | 2.15 |
| C2 (No. 5) | monoclinic | 3.51 | 0.0632 | -7.130 | 2.06 |
| No. 0 | unknown | — | — | — | 0.55 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where C16Ca8H16O40 is used.
Frequently Asked Questions
Common questions about C16Ca8H16O40, answered from cross-validated data.
What is C16Ca8H16O40?
C16Ca8H16O40 is a metastable, insulating compound composed of carbon, calcium, hydrogen, and oxygen that is primarily studied for its unique structural and electronic properties.
What is C16Ca8H16O40 used for?
What is the band gap of C16Ca8H16O40?
Is C16Ca8H16O40 a metal, semiconductor, or insulator?
Is C16Ca8H16O40 thermodynamically stable?
What is the crystal structure of C16Ca8H16O40?
What is the density of C16Ca8H16O40?
How many polymorphs of C16Ca8H16O40 are known?
What elements does C16Ca8H16O40 contain?
Where does the data for C16Ca8H16O40 come from?
How It Compares
As a unique chemical entity, C16Ca8H16O40 serves as a distinct case study within the broader landscape of complex calcium-based organic-inorganic frameworks. It occupies a niche position where its specific stoichiometry dictates its structural behavior, distinguishing it from more common or highly symmetric crystalline solids.
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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