SrS3
Strontium trisulfide is a binary inorganic compound composed of strontium and sulfur. It belongs to the class of polysulfides and is primarily studied for its structural properties and potential roles in solid-state chemistry research.
SSr
Overview
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.
1.09 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.
0.032 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
74
3 databases, 18 space groups
Crystallography
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. |
|---|---|---|---|---|---|
| Aea2 (No. 41) | orthorhombic | 1.09 | 0.0323 | -10.992 | 3.02 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.60 |
| P1 (No. 1) | Triclinic | — | — | — | 3.22 |
| P1 (No. 1) | Triclinic | — | — | — | 3.25 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.08 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.31 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.39 |
| P1 (No. 1) | Triclinic | — | — | — | 2.51 |
| P1 (No. 1) | Triclinic | — | — | — | 2.81 |
| P1 (No. 1) | Triclinic | — | — | — | 2.96 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 3.30 |
| P1 (No. 1) | Triclinic | — | — | — | 2.96 |
Uses
Applications
Where SrS3 is used.
Solid-state chemistry researchMaterials science studiesPrecursor for sulfur-based compounds
Reference
Frequently Asked Questions
Common questions about SrS3, answered from cross-validated data.
What is SrS3?
Strontium trisulfide is a binary inorganic compound composed of strontium and sulfur. It belongs to the class of polysulfides and is primarily studied for its structural properties and potential roles in solid-state chemistry research.
More questions
What is SrS3 used for?
SrS3 is used in solid-state chemistry research, materials science studies, and precursor for sulfur-based compounds.
What is the band gap of SrS3?
SrS3 has a DFT-computed band gap of 1.09 eV across 74 reported structures.
Is SrS3 a metal, semiconductor, or insulator?
With a band gap up to 1.09 eV it is a semiconductor.
Is SrS3 thermodynamically stable?
SrS3 has a lowest energy above hull of 0.032 eV/atom (metastable).
What is the crystal structure of SrS3?
The lowest-energy reported polymorph of SrS3 is orthorhombic symmetry, space group Aea2 (No. 41).
What is the density of SrS3?
The computed density of the ground-state structure of SrS3 is 3.02 g/cm³.
How many polymorphs of SrS3 are known?
74 structures of SrS3 are reported across 3 databases, spanning 18 distinct space groups.
What elements does SrS3 contain?
SrS3 contains S and Sr (2 elements).
Where does the data for SrS3 come from?
SrS3 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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