Ca2H4O10Si2Zn2
Ca2H4O10Si2Zn2 is a complex, wide-gap insulating hydrated silicate that is considered a promising candidate for synthesis due to its near-hull thermodynamic stability.
About Ca2H4O10Si2Zn2
Ca2H4O10Si2Zn2 is a complex hydrated silicate containing calcium and zinc. As a wide-gap insulating material, it exhibits electronic properties characteristic of stable, non-conductive mineral-like structures. Its composition suggests a framework that integrates metallic cations within a silicate matrix, typical of materials that maintain structural integrity under various conditions.
This compound is categorized as a near-hull material, indicating it is likely synthesizable and holds potential for targeted materials science research. Its unique combination of elements makes it an interesting candidate for studies involving structural stability and the role of hydration in complex inorganic lattices.
Key Properties
Cross-validated computational properties for Ca2H4O10Si2Zn2, 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 Ca2H4O10Si2Zn2, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 3.64 | 0.0034 | -6.486 | 3.23 |
| Cc (No. 9) | — | — | — | — | — |
| Cc (No. 9) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.85 |
Applications
Where Ca2H4O10Si2Zn2 is used.
Frequently Asked Questions
Common questions about Ca2H4O10Si2Zn2, answered from cross-validated data.
What is Ca2H4O10Si2Zn2?
Ca2H4O10Si2Zn2 is a complex, wide-gap insulating hydrated silicate that is considered a promising candidate for synthesis due to its near-hull thermodynamic stability.
What is Ca2H4O10Si2Zn2 used for?
What is the band gap of Ca2H4O10Si2Zn2?
Is Ca2H4O10Si2Zn2 a metal, semiconductor, or insulator?
Is Ca2H4O10Si2Zn2 thermodynamically stable?
What is the crystal structure of Ca2H4O10Si2Zn2?
What is the density of Ca2H4O10Si2Zn2?
How many polymorphs of Ca2H4O10Si2Zn2 are known?
What elements does Ca2H4O10Si2Zn2 contain?
Where does the data for Ca2H4O10Si2Zn2 come from?
How It Compares
As a unique silicate structure, Ca2H4O10Si2Zn2 represents a specialized arrangement of calcium, zinc, and silicon. While it does not share its immediate class with other listed compounds, it stands as a significant example of a complex, near-hull hydrated silicate that bridges the gap between simple mineral oxides and more intricate synthetic frameworks.
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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