SbOsSe
SbOsSe is a thermodynamically stable semiconducting compound studied for its potential role in thermoelectric and solid-state applications.
About SbOsSe
SbOsSe is a semiconducting compound belonging to the broader family of chalcogenide-based materials often investigated for thermoelectric applications. Its status as a thermodynamically stable phase on the convex hull suggests a robust structural framework, making it a subject of interest for fundamental materials research. The material is characterized by its distinct elemental composition, which influences its electronic behavior and potential for energy conversion technologies. Given its presence in multiple structural databases, it represents a well-documented candidate for further experimental exploration in solid-state physics.
Key Properties
Cross-validated computational properties for SbOsSe, 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 SbOsSe. 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 SbOsSe, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.12 | 0.0000 | -6.620 | 10.54 |
| P21/c (No. 14) | monoclinic | 1.05 | 0.0000 | -0.182 | — |
| — | — | 0.00 | 0.2124 | 0.060 | — |
| — | — | 0.00 | 0.3336 | 0.181 | — |
| — | — | 0.00 | 1.2211 | 1.069 | — |
| — | — | 0.00 | 1.3509 | 1.199 | — |
| P1 (No. 1) | triclinic | — | — | — | 7.93 |
| P-1 (No. 2) | triclinic | — | — | — | 10.41 |
| Cmme (No. 67) | orthorhombic | — | — | — | 7.76 |
| P1 (No. 1) | triclinic | — | — | — | 12.85 |
| Cmme (No. 67) | orthorhombic | — | — | — | 10.48 |
| P-1 (No. 2) | triclinic | — | — | — | 10.01 |
Applications
Where SbOsSe is used.
Frequently Asked Questions
Common questions about SbOsSe, answered from cross-validated data.
What is SbOsSe?
SbOsSe is a thermodynamically stable semiconducting compound studied for its potential role in thermoelectric and solid-state applications.
What is SbOsSe used for?
What is the band gap of SbOsSe?
Is SbOsSe a metal, semiconductor, or insulator?
Is SbOsSe thermodynamically stable?
What is the crystal structure of SbOsSe?
What is the density of SbOsSe?
How many polymorphs of SbOsSe are known?
What elements does SbOsSe contain?
Where does the data for SbOsSe come from?
How It Compares
Within the bismuth chalcogenide thermoelectrics class.
Within the context of bismuth chalcogenide-related thermoelectrics, SbOsSe occupies a unique niche compared to more traditional, highly studied members like Bi2Te3 or Sb2Se3. While compounds such as Bi2Te3 are industry standards for cooling and power generation, SbOsSe offers a different elemental combination that may provide alternative pathways for tuning electronic and thermal transport properties compared to binary or ternary systems like AgSbTe2 or Ge2Sb2Te5.
Related Compounds
Other Bismuth Chalcogenide Thermoelectrics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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