ScBiO3
ScBiO3 is a wide-band-gap insulating oxide that is theoretically predicted to be stable enough for potential laboratory synthesis.
About ScBiO3
ScBiO3 is an insulating ternary oxide composed of scandium, bismuth, and oxygen. Its electronic structure is characterized by a wide band gap, positioning it as a potential dielectric or insulating component in specialized electronic architectures. The material is considered to be near the thermodynamic hull, suggesting that it is likely synthesizable under appropriate experimental conditions. With numerous structural configurations documented across databases, it remains a subject of significant interest for materials discovery. Its stability and insulating nature make it relevant for fundamental studies in oxide physics and potential future applications in high-performance electronic devices where wide-gap materials are required.
Key Properties
Cross-validated computational properties for ScBiO3, 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 ScBiO3. 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 ScBiO3, 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. |
|---|---|---|---|---|---|
| R3c (No. 161) | trigonal | 3.26 | 0.0101 | -2.579 | — |
| R3c (No. 161) | trigonal | 3.09 | 0.0214 | -7.797 | 7.08 |
| — | — | 3.27 | 0.0286 | -2.612 | — |
| Pnma (No. 62) | orthorhombic | 2.72 | 0.0322 | -7.786 | 7.48 |
| — | — | 3.01 | 0.0326 | -2.608 | — |
| Cc (No. 9) | monoclinic | 2.69 | 0.0337 | -7.785 | 7.10 |
| — | — | 2.97 | 0.0342 | -2.607 | — |
| C2/c (No. 15) | monoclinic | 2.68 | 0.0345 | -7.784 | 7.11 |
| — | — | 3.01 | 0.0352 | -2.605 | — |
| — | — | 2.58 | 0.0538 | -2.587 | — |
| — | — | 3.05 | 0.0563 | -2.584 | — |
| R-3 (No. 148) | trigonal | 2.15 | 0.0616 | -2.528 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting ScBiO3.
Applications
Where ScBiO3 is used.
Frequently Asked Questions
Common questions about ScBiO3, answered from cross-validated data.
What is ScBiO3?
ScBiO3 is a wide-band-gap insulating oxide that is theoretically predicted to be stable enough for potential laboratory synthesis.
What is ScBiO3 used for?
What is the band gap of ScBiO3?
Is ScBiO3 a metal, semiconductor, or insulator?
Is ScBiO3 thermodynamically stable?
What is the crystal structure of ScBiO3?
What is the density of ScBiO3?
How many polymorphs of ScBiO3 are known?
How is ScBiO3 synthesized?
What elements does ScBiO3 contain?
Where does the data for ScBiO3 come from?
How It Compares
As a unique ternary oxide, ScBiO3 occupies a distinct space in materials research. While it lacks direct structural siblings in this specific dataset, its status as a near-hull compound highlights its importance as a viable target for experimental synthesis compared to more unstable theoretical phases.
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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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