SrS2
SrS2 is a semiconducting strontium disulfide compound that is considered a promising candidate for experimental synthesis.
About SrS2
SrS2 is a strontium-based disulfide that exhibits semiconducting electronic behavior. As a near-hull material, it occupies a favorable position in the energy landscape, suggesting it is a viable candidate for experimental synthesis and characterization.
Its structural complexity is highlighted by its presence in multiple materials databases, reflecting significant scientific interest. This compound serves as a critical entry point for understanding the bonding and electronic properties of alkaline earth metal polysulfides.
Key Properties
Cross-validated computational properties for SrS2, 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 SrS2. 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 SrS2, 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. |
|---|---|---|---|---|---|
| I4/mcm (No. 140) | tetragonal | 1.58 | 0.0000 | -1.583 | — |
| — | — | 1.45 | 0.0108 | -1.577 | — |
| I4/mcm (No. 140) | tetragonal | 1.30 | 0.0234 | -11.998 | 3.49 |
| — | — | 1.45 | 0.2980 | -1.290 | — |
| — | — | 0.00 | 0.6627 | -0.925 | — |
| — | — | 0.00 | 0.9489 | -0.639 | — |
| — | — | 0.00 | 1.3283 | -0.259 | — |
| P1 (No. 1) | triclinic | — | — | — | 1.85 |
| Cm (No. 8) | monoclinic | — | — | — | 3.40 |
| P1 (No. 1) | triclinic | — | — | — | 3.79 |
| P1 (No. 1) | triclinic | — | — | — | 2.10 |
| P1 (No. 1) | triclinic | — | — | — | 3.53 |
Applications
Where SrS2 is used.
Frequently Asked Questions
Common questions about SrS2, answered from cross-validated data.
What is SrS2?
SrS2 is a semiconducting strontium disulfide compound that is considered a promising candidate for experimental synthesis.
What is SrS2 used for?
What is the band gap of SrS2?
Is SrS2 a metal, semiconductor, or insulator?
Is SrS2 thermodynamically stable?
What is the crystal structure of SrS2?
How many polymorphs of SrS2 are known?
What elements does SrS2 contain?
Where does the data for SrS2 come from?
How It Compares
As a member of the alkaline earth disulfide family, SrS2 represents a distinct structural arrangement that bridges the gap between simple binary sulfides and more complex sulfur-rich frameworks.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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