SrS3
SrS3 is a metastable strontium sulfide semiconductor characterized by a high degree of structural diversity.
About SrS3
SrS3 is a strontium-based sulfide compound that exhibits semiconducting electronic behavior. As a metastable phase, it represents a complex structural arrangement within the alkaline earth chalcogenide family, drawing significant interest from researchers studying phase stability and synthesis pathways.
Its existence is supported by a substantial body of structural data, reflecting its role as a subject of extensive computational and experimental investigation. This compound serves as a critical model for understanding the bonding dynamics and structural diversity found in metal-rich sulfur systems.
Key Properties
Cross-validated computational properties for SrS3, 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 SrS3. 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 SrS3, 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. |
|---|---|---|---|---|---|
| — | — | 1.15 | 0.0000 | -1.234 | — |
| Aea2 (No. 41) | orthorhombic | 1.06 | 0.0197 | -1.172 | — |
| Aea2 (No. 41) | orthorhombic | 1.09 | 0.0323 | -10.992 | 3.02 |
| — | — | 0.00 | 0.5666 | -0.667 | — |
| — | — | 0.00 | 0.5939 | -0.640 | — |
| — | — | 0.00 | 0.6412 | -0.593 | — |
| — | — | 0.00 | 0.8631 | -0.371 | — |
| P1 (No. 1) | triclinic | — | — | — | 2.81 |
| P1 (No. 1) | triclinic | — | — | — | 2.93 |
| P1 (No. 1) | triclinic | — | — | — | 3.25 |
| P1 (No. 1) | triclinic | — | — | — | 2.96 |
| P1 (No. 1) | triclinic | — | — | — | 3.23 |
Applications
Where SrS3 is used.
Frequently Asked Questions
Common questions about SrS3, answered from cross-validated data.
What is SrS3?
SrS3 is a metastable strontium sulfide semiconductor characterized by a high degree of structural diversity.
What is SrS3 used for?
What is the band gap of SrS3?
Is SrS3 a metal, semiconductor, or insulator?
Is SrS3 thermodynamically stable?
What is the crystal structure of SrS3?
How many polymorphs of SrS3 are known?
What elements does SrS3 contain?
Where does the data for SrS3 come from?
How It Compares
As a metastable sulfide, SrS3 occupies a unique position in the landscape of strontium-sulfur compounds, where it serves as a key reference point for exploring non-equilibrium phases in chalcogenide materials.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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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