SbRuS
SbRuS is a stable, semiconducting ternary compound containing antimony, ruthenium, and sulfur.
About SbRuS
SbRuS is a distinct ternary compound composed of antimony, ruthenium, and sulfur. As a thermodynamically stable material situated on the convex hull, it represents a robust phase that maintains structural integrity under standard conditions.
This material exhibits semiconducting electronic characteristics, making it an intriguing candidate for investigation in electronic and optoelectronic research. Its existence across multiple reported structural configurations highlights its versatility and the interest it garners within the materials science community.
Key Properties
Cross-validated computational properties for SbRuS, 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 SbRuS. 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 SbRuS, 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 | 0.93 | 0.0000 | -6.467 | 7.51 |
| P21/c (No. 14) | monoclinic | 0.87 | 0.0000 | -0.473 | — |
| — | — | 0.00 | 0.1640 | -0.333 | — |
| — | — | 0.00 | 0.1656 | -0.331 | — |
| — | — | 0.00 | 0.4018 | -0.095 | — |
| — | — | 0.00 | 1.1240 | 0.627 | — |
| — | — | 0.00 | 1.1298 | 0.633 | — |
| P-1 (No. 2) | triclinic | — | — | — | 5.50 |
| Pm (No. 6) | monoclinic | — | — | — | 7.43 |
| Pmmn (No. 59) | orthorhombic | — | — | — | 4.64 |
| Pmmn (No. 59) | orthorhombic | — | — | — | 4.76 |
| P4/nmm (No. 129) | tetragonal | — | — | — | 8.92 |
Applications
Where SbRuS is used.
Frequently Asked Questions
Common questions about SbRuS, answered from cross-validated data.
What is SbRuS?
SbRuS is a stable, semiconducting ternary compound containing antimony, ruthenium, and sulfur.
What is SbRuS used for?
What is the band gap of SbRuS?
Is SbRuS a metal, semiconductor, or insulator?
Is SbRuS thermodynamically stable?
What is the crystal structure of SbRuS?
What is the density of SbRuS?
How many polymorphs of SbRuS are known?
What elements does SbRuS contain?
Where does the data for SbRuS come from?
How It Compares
As a unique ternary phase, SbRuS serves as a specialized example of metal-chalcogenide chemistry. Unlike more common binary sulfides, this compound integrates ruthenium into a complex lattice, positioning it as a distinct subject for those studying the interplay between transition metals and pnictogens in semiconducting frameworks.
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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