Si3O
Si3O is a semiconducting silicon suboxide phase that is generally considered thermodynamically unstable.
About Si3O
Si3O is a silicon suboxide characterized by its semiconducting electronic nature. As a non-stoichiometric phase, it represents a unique arrangement of silicon and oxygen atoms that deviates from the common silica framework.
Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Its existence is primarily observed in specialized experimental or computational contexts where specific synthesis pathways allow for its formation.
Key Properties
Cross-validated computational properties for Si3O, 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.
Reported Structures
Lowest-energy structures reported for Si3O, 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/c (No. 15) | monoclinic | 0.19 | 0.4449 | -6.088 | 2.14 |
| C2/c (No. 15) | monoclinic | 0.16 | 0.4509 | -6.082 | 2.13 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.50 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.33 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.34 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.34 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.06 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.75 |
| P1 (No. 1) | Triclinic | — | — | — | 2.47 |
| P1 (No. 1) | Triclinic | — | — | — | 3.18 |
| R-3m (No. 166) | Trigonal | — | — | — | 2.56 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.65 |
Applications
Where Si3O is used.
Frequently Asked Questions
Common questions about Si3O, answered from cross-validated data.
What is Si3O?
Si3O is a semiconducting silicon suboxide phase that is generally considered thermodynamically unstable.
What is Si3O used for?
What is the band gap of Si3O?
Is Si3O a metal, semiconductor, or insulator?
Is Si3O thermodynamically stable?
What is the crystal structure of Si3O?
What is the density of Si3O?
How many polymorphs of Si3O are known?
What elements does Si3O contain?
Where does the data for Si3O come from?
How It Compares
As a unique silicon-rich oxide phase, Si3O occupies a distinct niche in materials science, serving as a point of interest for researchers studying the transition between elemental silicon and stable silicon dioxide insulators.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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