YbS
ytterbium(II) sulfide · ytterbium monosulfide
Ytterbium(II) sulfide is a stable semiconducting compound composed of ytterbium and sulfur.
About ytterbium(II) sulfide
Ytterbium(II) sulfide is a binary chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration within the ytterbium-sulfur system.
Its structural versatility is highlighted by its presence across multiple databases, reflecting significant interest in its physical properties. This compound serves as a fundamental material for investigating rare-earth chalcogenide chemistry and potential electronic applications.
Key Properties
Cross-validated computational properties for ytterbium(II) sulfide, 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 YbS. 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 YbS, 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. |
|---|---|---|---|---|---|
| — | — | 2.33 | 0.0000 | -2.409 | — |
| Fm-3m (No. 225) | cubic | 2.22 | 0.0000 | -24.438 | 8.74 |
| Fm-3m (No. 225) | cubic | 2.21 | 0.0000 | -2.457 | — |
| — | — | 2.29 | 0.0001 | -2.409 | — |
| — | — | 2.33 | 0.0002 | -2.409 | — |
| — | — | 2.78 | 0.1468 | -2.262 | — |
| — | — | 0.00 | 0.1976 | -2.211 | — |
| — | — | 2.61 | 0.2304 | -2.178 | — |
| — | — | 3.41 | 0.3214 | -2.087 | — |
| — | — | 1.18 | 0.3326 | -2.076 | — |
| — | — | 1.29 | 0.3728 | -2.036 | — |
| Cm (No. 8) | monoclinic | — | — | — | 4.70 |
Applications
Where ytterbium(II) sulfide is used.
Frequently Asked Questions
Common questions about ytterbium(II) sulfide, answered from cross-validated data.
What is YbS?
Ytterbium(II) sulfide is a stable semiconducting compound composed of ytterbium and sulfur.
What is YbS used for?
What is the band gap of YbS?
Is YbS a metal, semiconductor, or insulator?
Is YbS thermodynamically stable?
What is the crystal structure of YbS?
What is the density of YbS?
How many polymorphs of YbS are known?
What elements does YbS contain?
Where does the data for YbS come from?
How It Compares
As a standalone binary sulfide in this context, YbS serves as a primary reference point for ytterbium-based semiconductors, demonstrating the stability and structural diversity characteristic of rare-earth chalcogenides.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- 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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