O13Si6
O13Si6 is a semiconducting silicon oxide compound that exists in a metastable state.
About O13Si6
O13Si6 is a complex silicon oxide compound characterized by its semiconducting electronic nature. As a material existing above the thermodynamic hull, it represents a metastable configuration within the diverse landscape of silicon-oxygen chemistry.
Its structural diversity is highlighted by numerous reported configurations, reflecting the intricate bonding possibilities between silicon and oxygen atoms. While not a standard phase, its study contributes to the fundamental understanding of non-equilibrium silicon oxide architectures.
Key Properties
Cross-validated computational properties for O13Si6, 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 O13Si6. 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 O13Si6, 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/m (No. 12) | monoclinic | 0.01 | 0.1997 | -8.000 | 1.32 |
| P6/mcc (No. 192) | hexagonal | 2.08 | 0.3405 | -7.859 | 1.73 |
| Pm (No. 6) | monoclinic | 0.08 | 0.8237 | -7.376 | 1.92 |
| Pm (No. 6) | monoclinic | 0.05 | 0.9179 | -7.281 | 1.95 |
| No. 0 | unknown | — | — | — | 0.23 |
| No. 0 | unknown | — | — | — | 0.22 |
| No. 0 | unknown | — | — | — | 0.23 |
| No. 0 | unknown | — | — | — | 0.23 |
| No. 0 | unknown | — | — | — | 0.23 |
| No. 0 | unknown | — | — | — | 0.23 |
| No. 0 | unknown | — | — | — | 0.23 |
| No. 0 | unknown | — | — | — | 0.22 |
Frequently Asked Questions
Common questions about O13Si6, answered from cross-validated data.
What is O13Si6?
O13Si6 is a semiconducting silicon oxide compound that exists in a metastable state.
What is the band gap of O13Si6?
Is O13Si6 a metal, semiconductor, or insulator?
Is O13Si6 thermodynamically stable?
What is the crystal structure of O13Si6?
What is the density of O13Si6?
How many polymorphs of O13Si6 are known?
What elements does O13Si6 contain?
Where does the data for O13Si6 come from?
How It Compares
As a unique silicon oxide phase, O13Si6 occupies a specialized niche in the study of silicon-oxygen compounds. Unlike more common, stable silica polymorphs, this material represents a metastable structure that provides valuable insight into the structural variety possible within this elemental system.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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