S6Yb4
Ytterbium sulfide
This compound is a binary chalcogenide composed of ytterbium and sulfur. It is primarily utilized in materials science research for the development of advanced optical components and semiconductor materials.
SYb
Overview
Key Properties
Cross-validated computational properties for S6Yb4, 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.
2.54–2.82 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
9
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for S6Yb4, 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 | 2.54 | 0.0000 | -21.764 | 6.22 |
| P63cm (No. 185) | hexagonal | 2.82 | 0.0019 | -21.762 | 6.08 |
| R-3c (No. 167) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| — | — | — | — | — | 5.83 |
| — | — | — | — | — | 6.24 |
| R-3c (No. 167) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| — | — | — | — | — | 6.52 |
Uses
Applications
Where S6Yb4 is used.
Optical materials researchSemiconductor developmentSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about S6Yb4, answered from cross-validated data.
What is S6Yb4?
This compound is a binary chalcogenide composed of ytterbium and sulfur. It is primarily utilized in materials science research for the development of advanced optical components and semiconductor materials.
More questions
What is S6Yb4 used for?
S6Yb4 is used in optical materials research, semiconductor development, and solid-state chemistry studies.
What is the band gap of S6Yb4?
S6Yb4 has a DFT-computed band gap of 2.54–2.82 eV across 9 reported structures.
Is S6Yb4 a metal, semiconductor, or insulator?
With a band gap up to 2.82 eV it is a semiconductor.
Is S6Yb4 thermodynamically stable?
Yes — S6Yb4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of S6Yb4?
The lowest-energy reported polymorph of S6Yb4 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of S6Yb4?
The computed density of the ground-state structure of S6Yb4 is 6.22 g/cm³.
How many polymorphs of S6Yb4 are known?
9 structures of S6Yb4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does S6Yb4 contain?
S6Yb4 contains S and Yb (2 elements).
Where does the data for S6Yb4 come from?
S6Yb4 data is cross-referenced from materials_project, aflow, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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