SiOs
SiOs is a thermodynamically stable, semiconducting silicon-based compound utilized in the research and development of advanced anode materials for energy storage.
About SiOs
SiOs is a silicon-based inorganic compound that functions as a semiconducting material. Its position on the convex hull indicates high thermodynamic stability, making it a robust candidate for advanced material applications where structural integrity is paramount. The compound is part of a broad family of silicon-based materials currently being investigated for their potential to enhance energy storage systems.
Given its electronic character and stability, SiOs is categorized within the class of silicon anode materials. Its existence across numerous reported structures highlights its significance in materials science research, providing a stable framework for exploring the electrochemical performance of silicon-heavy compounds in next-generation battery architectures.
Key Properties
Cross-validated computational properties for SiOs, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of SiOs. 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 SiOs, 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. |
|---|---|---|---|---|---|
| P213 (No. 198) | cubic | 0.51 | 0.0000 | -31.272 | 13.39 |
| — | — | 0.62 | 0.0129 | -0.364 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0271 | -31.245 | 14.30 |
| — | — | 0.00 | 0.0330 | -0.343 | — |
| P213 (No. 198) | cubic | 0.50 | 0.0336 | -0.265 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0905 | -0.208 | — |
| — | — | 0.00 | 0.1032 | -0.273 | — |
| — | — | 0.00 | 0.2079 | -0.169 | — |
| — | — | 0.00 | 0.2307 | -0.146 | — |
| Pm (No. 6) | monoclinic | 0.00 | 0.5873 | 0.289 | — |
| — | — | 0.00 | 0.9065 | 0.530 | — |
| — | — | 0.00 | 1.0203 | 0.644 | — |
Applications
Where SiOs is used.
Frequently Asked Questions
Common questions about SiOs, answered from cross-validated data.
What is SiOs?
SiOs is a thermodynamically stable, semiconducting silicon-based compound utilized in the research and development of advanced anode materials for energy storage.
What is SiOs used for?
What is the band gap of SiOs?
Is SiOs a metal, semiconductor, or insulator?
Is SiOs thermodynamically stable?
What is the crystal structure of SiOs?
What is the density of SiOs?
How many polymorphs of SiOs are known?
What elements does SiOs contain?
Where does the data for SiOs come from?
How It Compares
Within the silicon anode materials class.
Within the diverse class of silicon anode materials, SiOs distinguishes itself through its specific thermodynamic stability compared to more common or reactive counterparts like Si or Mg2Si. While materials such as MoSi2 are often studied for their refractory nature, SiOs offers a unique semiconducting profile that complements the metallic or semi-metallic behavior found in other silicides like FeSi or BaSi2.
Related Compounds
Other Silicon Anode Materials in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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