Si2Os
Si2Os is a stable, semiconducting silicon-osmium compound being studied for its potential utility in advanced anode technologies.
About Si2Os
Si2Os is a thermodynamically stable compound within the silicon-based materials class, characterized by its semiconducting electronic nature. As a robust member of this group, it represents a significant structural candidate for high-performance energy storage architectures.
Its position on the convex hull underscores its inherent stability, making it a subject of interest for researchers investigating durable anode materials. By leveraging its distinct electronic properties, this compound contributes to the ongoing development of next-generation power systems.
Key Properties
Cross-validated computational properties for Si2Os, 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 Si2Os. 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 Si2Os, 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. |
|---|---|---|---|---|---|
| — | — | 0.77 | 0.0000 | -0.450 | — |
| Cmce (No. 64) | orthorhombic | 0.65 | 0.0000 | -24.009 | 9.65 |
| Cmce (No. 64) | orthorhombic | 0.51 | 0.0000 | -0.334 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0146 | -0.319 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0735 | -23.936 | 9.63 |
| — | — | 0.00 | 0.2016 | -0.248 | — |
| Pm (No. 6) | monoclinic | 0.00 | 0.4237 | 0.090 | — |
| — | — | 0.00 | 1.2108 | 0.761 | — |
| — | — | 0.00 | 1.2114 | 0.762 | — |
| P-1 (No. 2) | triclinic | — | — | — | 6.74 |
| C2 (No. 5) | monoclinic | — | — | — | 5.92 |
| P1 (No. 1) | triclinic | — | — | — | 8.26 |
Applications
Where Si2Os is used.
Frequently Asked Questions
Common questions about Si2Os, answered from cross-validated data.
What is Si2Os?
Si2Os is a stable, semiconducting silicon-osmium compound being studied for its potential utility in advanced anode technologies.
What is Si2Os used for?
What is the band gap of Si2Os?
Is Si2Os a metal, semiconductor, or insulator?
Is Si2Os thermodynamically stable?
What is the crystal structure of Si2Os?
What is the density of Si2Os?
How many polymorphs of Si2Os are known?
What elements does Si2Os contain?
Where does the data for Si2Os come from?
How It Compares
Within the silicon anode materials class.
Within the diverse family of silicon-based materials, Si2Os stands out for its specific thermodynamic stability compared to more common silicides like FeSi or Mg2Si. While materials such as Si remain the industry standard for anodes, Si2Os offers a unique structural alternative that complements the broader landscape of metal silicides like MoSi2 and BaSi2.
Related Compounds
Other Silicon Anode Materials in the database.
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)
- 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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