SiH2O
SiH2O is an insulating, silicon-based compound that is typically characterized as a metastable species of interest in theoretical materials research.
About SiH2O
SiH2O is a silicon-based compound characterized by its wide-band-gap insulating electronic profile. It exists as a complex chemical species that has been identified across multiple structural databases, reflecting significant interest in its potential configurations despite its challenging thermodynamic profile. Its composition, involving silicon, oxygen, and hydrogen, places it in a specialized category of reactive precursors or transient intermediates often studied in computational chemistry. Because it sits above the thermodynamic hull, it is generally considered an unstable species that requires specific conditions for formation or observation. Its study is vital for understanding the fundamental bonding behaviors of silicon in hydrogenated oxide environments.
Key Properties
Cross-validated computational properties for SiH2O, 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 SiH2O, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.00 | 0.6606 | -4.938 | 1.70 |
| P1 (No. 1) | triclinic | 0.00 | 0.6674 | -4.931 | 1.73 |
| Cm (No. 8) | monoclinic | 3.08 | 0.7679 | -4.831 | 0.73 |
| Cm (No. 8) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 3.25 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.64 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.65 |
Applications
Where SiH2O is used.
Frequently Asked Questions
Common questions about SiH2O, answered from cross-validated data.
What is SiH2O?
SiH2O is an insulating, silicon-based compound that is typically characterized as a metastable species of interest in theoretical materials research.
What is SiH2O used for?
What is the band gap of SiH2O?
Is SiH2O a metal, semiconductor, or insulator?
Is SiH2O thermodynamically stable?
What is the crystal structure of SiH2O?
What is the density of SiH2O?
How many polymorphs of SiH2O are known?
What elements does SiH2O contain?
Where does the data for SiH2O come from?
How It Compares
As a unique silicon-based species, SiH2O occupies a distinct niche in materials research. Without direct structural siblings in its immediate class, it serves as a critical reference point for investigating the limits of stability in silicon-oxygen-hydrogen systems, often acting as a benchmark for computational models exploring metastable phases.
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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