SbO2
SbO2 is a stable, semiconducting antimony oxide that is widely documented in structural materials databases.
About SbO2
SbO2 is a thermodynamically stable oxide that occupies a position on the convex hull, indicating significant structural robustness. As a semiconducting material, it offers a unique electronic profile that makes it a subject of interest for researchers investigating oxide-based functional materials.
With hundreds of reported structures across major databases, this compound is a well-documented subject in materials science. Its stability and electronic characteristics suggest potential utility in various technological applications where reliable semiconducting behavior is required.
Key Properties
Cross-validated computational properties for SbO2, 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 SbO2. 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 SbO2, 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 | 2.34 | 0.0000 | -1.501 | — |
| — | — | 2.30 | 0.0000 | -1.652 | — |
| C2/c (No. 15) | monoclinic | 2.03 | 0.0000 | -6.514 | 6.65 |
| — | — | 2.36 | 0.0014 | -1.651 | — |
| Pna21 (No. 33) | orthorhombic | 1.89 | 0.0015 | -6.512 | 6.56 |
| Pnna (No. 52) | orthorhombic | 1.91 | 0.0054 | -6.509 | 6.49 |
| Pnna (No. 52) | orthorhombic | 2.09 | 0.0060 | -1.495 | — |
| — | — | 2.34 | 0.0180 | -1.634 | — |
| — | — | 2.20 | 0.0186 | -1.634 | — |
| Pmmn (No. 59) | orthorhombic | 2.44 | 0.0922 | -6.422 | 4.28 |
| Pnna (No. 52) | orthorhombic | 1.77 | 0.1068 | -6.407 | 5.75 |
| P-1 (No. 2) | triclinic | 1.73 | 0.1079 | -1.393 | — |
Applications
Where SbO2 is used.
Frequently Asked Questions
Common questions about SbO2, answered from cross-validated data.
What is SbO2?
SbO2 is a stable, semiconducting antimony oxide that is widely documented in structural materials databases.
What is SbO2 used for?
What is the band gap of SbO2?
Is SbO2 a metal, semiconductor, or insulator?
Is SbO2 thermodynamically stable?
What is the crystal structure of SbO2?
What is the density of SbO2?
How many polymorphs of SbO2 are known?
What elements does SbO2 contain?
Where does the data for SbO2 come from?
How It Compares
As a distinct oxide within its chemical family, SbO2 stands out due to its confirmed thermodynamic stability and well-characterized semiconducting nature, providing a reliable baseline for studying antimony-oxygen systems.
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)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
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