Si2BiO6
Si2BiO6 is a semiconducting bismuth silicate compound characterized by its structural complexity and metastable nature.
About Si2BiO6
Si2BiO6 is a complex inorganic compound composed of bismuth, silicon, and oxygen. As a semiconducting material, it represents an interesting subject for researchers exploring the intersection of heavy metal oxides and silicate chemistry, particularly in the context of electronic materials development.
While current thermodynamic data suggests it sits above the stability hull, the existence of multiple reported structures indicates a significant level of interest in its potential phases. Its behavior as a semiconductor makes it a candidate for fundamental studies into how bismuth-silicon-oxygen frameworks influence electronic transport properties.
Key Properties
Cross-validated computational properties for Si2BiO6, 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.
Reported Structures
Lowest-energy structures reported for Si2BiO6, 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 | 0.00 | 0.1009 | -7.504 | 4.75 |
| Pbca (No. 61) | orthorhombic | 0.26 | 0.1689 | -7.436 | 4.29 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.75 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.89 |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.09 |
Applications
Where Si2BiO6 is used.
Frequently Asked Questions
Common questions about Si2BiO6, answered from cross-validated data.
What is Si2BiO6?
Si2BiO6 is a semiconducting bismuth silicate compound characterized by its structural complexity and metastable nature.
What is Si2BiO6 used for?
What is the band gap of Si2BiO6?
Is Si2BiO6 a metal, semiconductor, or insulator?
Is Si2BiO6 thermodynamically stable?
What is the crystal structure of Si2BiO6?
What is the density of Si2BiO6?
How many polymorphs of Si2BiO6 are known?
What elements does Si2BiO6 contain?
Where does the data for Si2BiO6 come from?
How It Compares
As a unique bismuth-silicate, Si2BiO6 occupies a distinct niche in materials science. Unlike more common and thermodynamically stable binary oxides, this compound represents a more complex structural challenge, serving as a case study for the synthesis and characterization of metastable inorganic phases.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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