Si2H2O5
This compound is a type of silicic acid derivative often associated with the structural chemistry of layered silicates. It serves primarily as a precursor or intermediate in the synthesis of specialized silica-based materials and porous frameworks.
HOSi
Overview
Key Properties
Cross-validated computational properties for Si2H2O5, 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.
4.54–5.52 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.
0.039 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
15
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Si2H2O5, 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. |
|---|---|---|---|---|---|
| C2 (No. 5) | monoclinic | 5.52 | 0.0391 | -7.278 | 1.89 |
| Cc (No. 9) | monoclinic | 5.38 | 0.0495 | -7.268 | 1.87 |
| P1 (No. 1) | triclinic | 4.54 | 0.1420 | -7.176 | 1.94 |
| C2 (No. 5) | — | — | — | — | — |
| Cc (No. 9) | — | — | — | — | — |
| P1 (No. 1) | — | — | — | — | — |
| Cc (No. 9) | Monoclinic | — | — | — | 1.87 |
| C2 (No. 5) | Monoclinic | — | — | — | 1.89 |
| Cc (No. 9) | Monoclinic | — | — | — | 1.96 |
| C2 (No. 5) | Monoclinic | — | — | — | 1.98 |
| Cc (No. 9) | Monoclinic | — | — | — | 1.90 |
| C2 (No. 5) | Monoclinic | — | — | — | 1.93 |
Uses
Applications
Where Si2H2O5 is used.
Catalyst support synthesisPrecursor for porous silica materialsMaterials science research
Reference
Frequently Asked Questions
Common questions about Si2H2O5, answered from cross-validated data.
What is Si2H2O5?
This compound is a type of silicic acid derivative often associated with the structural chemistry of layered silicates. It serves primarily as a precursor or intermediate in the synthesis of specialized silica-based materials and porous frameworks.
More questions
What is Si2H2O5 used for?
Si2H2O5 is used in catalyst support synthesis, precursor for porous silica materials, and materials science research.
What is the band gap of Si2H2O5?
Si2H2O5 has a DFT-computed band gap of 4.54–5.52 eV across 15 reported structures.
Is Si2H2O5 a metal, semiconductor, or insulator?
With a wide band gap up to 5.52 eV it is an insulator / wide-band-gap material.
Is Si2H2O5 thermodynamically stable?
Si2H2O5 has a lowest energy above hull of 0.039 eV/atom (metastable).
What is the crystal structure of Si2H2O5?
The lowest-energy reported polymorph of Si2H2O5 is monoclinic symmetry, space group C2 (No. 5).
What is the density of Si2H2O5?
The computed density of the ground-state structure of Si2H2O5 is 1.89 g/cm³.
How many polymorphs of Si2H2O5 are known?
15 structures of Si2H2O5 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Si2H2O5 contain?
Si2H2O5 contains H, O, and Si (3 elements).
Where does the data for Si2H2O5 come from?
Si2H2O5 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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