Si2O3
Si2O3 is a semiconducting, metastable silicon oxide that exists in various structural forms.
About Si2O3
Si2O3 is a semiconducting oxide composed of silicon and oxygen. As a material that sits above the thermodynamic hull, it represents a metastable phase within the broader landscape of silicon-oxygen compounds. Its existence is characterized by a high degree of structural diversity, with numerous reported configurations observed in computational databases. The study of this compound is significant for understanding the complex phase space of silicon oxides beyond the common dioxide forms. Its semiconducting nature makes it a subject of interest for researchers investigating non-stoichiometric materials and their potential for specialized electronic applications.
Key Properties
Cross-validated computational properties for Si2O3, aggregated across 2 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Si2O3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Si2O3, 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. |
|---|---|---|---|---|---|
| — | — | 1.28 | 0.5192 | -2.247 | — |
| C2/c (No. 15) | monoclinic | 0.99 | 0.7802 | -7.304 | 1.74 |
| — | — | 1.92 | 1.0033 | -1.763 | — |
| P-1 (No. 2) | triclinic | — | — | — | 2.50 |
| P1 (No. 1) | triclinic | — | — | — | 2.44 |
| Cm (No. 8) | monoclinic | — | — | — | 3.38 |
| Cm (No. 8) | monoclinic | — | — | — | 3.90 |
| Cm (No. 8) | monoclinic | — | — | — | 6.10 |
| Cm (No. 8) | monoclinic | — | — | — | 1.85 |
| Cm (No. 8) | monoclinic | — | — | — | 4.56 |
| Cm (No. 8) | monoclinic | — | — | — | 4.70 |
| P-1 (No. 2) | triclinic | — | — | — | 4.26 |
Applications
Where Si2O3 is used.
Frequently Asked Questions
Common questions about Si2O3, answered from cross-validated data.
What is Si2O3?
Si2O3 is a semiconducting, metastable silicon oxide that exists in various structural forms.
What is Si2O3 used for?
What is the band gap of Si2O3?
Is Si2O3 a metal, semiconductor, or insulator?
Is Si2O3 thermodynamically stable?
What is the crystal structure of Si2O3?
What is the density of Si2O3?
How many polymorphs of Si2O3 are known?
What elements does Si2O3 contain?
Where does the data for Si2O3 come from?
How It Compares
As a unique silicon-oxygen phase, Si2O3 occupies a distinct position in materials science where it serves as a representative of the complex, metastable stoichiometry that can emerge in silicon-based systems. Unlike the highly stable and ubiquitous silicon dioxide, this compound exists in a more precarious energetic state, highlighting the variety of bonding environments possible between these two elements.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze Si2O3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →