SrS2
strontium disulfide
Strontium disulfide is an inorganic compound composed of strontium and sulfur. It is primarily studied for its potential roles in advanced materials research and solid-state chemistry.
SSr
Overview
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.
1.28 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.
0.023 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
134
3 databases, 17 space groups
Crystallography
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 | 1.28 | 0.0234 | -11.998 | 3.49 |
| I4/mcm (No. 140) | Tetragonal | — | — | — | 3.49 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.38 |
| P1 (No. 1) | Triclinic | — | — | — | 2.05 |
| P1 (No. 1) | Triclinic | — | — | — | 1.85 |
| P1 (No. 1) | Triclinic | — | — | — | 1.87 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.06 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.71 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.37 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.06 |
| P3m1 (No. 156) | Trigonal | — | — | — | 1.77 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.83 |
Uses
Applications
Where SrS2 is used.
materials science researchsemiconductor studieschemical synthesis precursor
Reference
Frequently Asked Questions
Common questions about SrS2, answered from cross-validated data.
What is SrS2?
Strontium disulfide is an inorganic compound composed of strontium and sulfur. It is primarily studied for its potential roles in advanced materials research and solid-state chemistry.
More questions
What is SrS2 used for?
SrS2 is used in materials science research, semiconductor studies, and chemical synthesis precursor.
What is the band gap of SrS2?
SrS2 has a DFT-computed band gap of 1.28 eV across 134 reported structures.
Is SrS2 a metal, semiconductor, or insulator?
With a band gap up to 1.28 eV it is a semiconductor.
Is SrS2 thermodynamically stable?
SrS2 has a lowest energy above hull of 0.023 eV/atom (near hull (likely stable)).
What is the crystal structure of SrS2?
The lowest-energy reported polymorph of SrS2 is tetragonal symmetry, space group I4/mcm (No. 140).
What is the density of SrS2?
The computed density of the ground-state structure of SrS2 is 3.49 g/cm³.
How many polymorphs of SrS2 are known?
134 structures of SrS2 are reported across 3 databases, spanning 17 distinct space groups.
What elements does SrS2 contain?
SrS2 contains S and Sr (2 elements).
Where does the data for SrS2 come from?
SrS2 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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