SiBi2O5
SiBi2O5 is a semiconducting bismuth silicate compound that is considered thermodynamically stable enough to be synthesized for experimental study.
About SiBi2O5
SiBi2O5 is a complex bismuth silicate that exhibits semiconducting electronic behavior. Its structural arrangement is characterized by a stable configuration that suggests it is a viable candidate for experimental synthesis and characterization within the broader landscape of bismuth-based oxides.
Because of its position as a near-hull phase, this compound represents an intriguing target for materials scientists investigating new functional oxides. Its potential for stability makes it a subject of interest for those exploring electronic or optical properties in ternary bismuth-silicon systems.
Key Properties
Cross-validated computational properties for SiBi2O5, 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 SiBi2O5. 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 SiBi2O5, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 2.81 | 0.0000 | -1.995 | — |
| Cmc21 (No. 36) | orthorhombic | 2.71 | 0.0122 | -7.024 | 7.88 |
| — | — | 2.90 | 0.0197 | -2.103 | — |
| Pnma (No. 62) | orthorhombic | 2.62 | 0.0920 | -6.944 | 7.41 |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 8.09 |
| Pnma (No. 62) | orthorhombic | — | — | — | 7.62 |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 7.77 |
| Pnma (No. 62) | orthorhombic | — | — | — | 7.92 |
| Pnma (No. 62) | orthorhombic | — | — | — | 7.41 |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 7.57 |
Synthesis Routes
Literature-extracted synthesis procedures targeting SiBi2O5.
Applications
Where SiBi2O5 is used.
Frequently Asked Questions
Common questions about SiBi2O5, answered from cross-validated data.
What is SiBi2O5?
SiBi2O5 is a semiconducting bismuth silicate compound that is considered thermodynamically stable enough to be synthesized for experimental study.
What is SiBi2O5 used for?
What is the band gap of SiBi2O5?
Is SiBi2O5 a metal, semiconductor, or insulator?
Is SiBi2O5 thermodynamically stable?
What is the crystal structure of SiBi2O5?
How many polymorphs of SiBi2O5 are known?
How is SiBi2O5 synthesized?
What elements does SiBi2O5 contain?
Where does the data for SiBi2O5 come from?
How It Compares
As a unique bismuth silicate, SiBi2O5 occupies a distinct space in materials research where it serves as a representative example of how bismuth and silicon can organize into stable, semiconducting oxide frameworks.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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