O3S1Sr1
Strontium sulfite · SrSO3
Strontium sulfite is an inorganic salt composed of strontium, sulfur, and oxygen. It is primarily utilized in specialized chemical synthesis and as a precursor for other strontium-containing compounds.
OSSr
Overview
Key Properties
Cross-validated computational properties for Strontium sulfite, 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.
0.54 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.
1.376 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.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
8
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for O3S1Sr1, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.54 | 1.3761 | -5.326 | 2.98 |
| No. 0 | unknown | — | — | — | 0.90 |
| No. 0 | unknown | — | — | — | 0.91 |
| No. 0 | unknown | — | — | — | 0.91 |
| Pm-3m (No. 221) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.90 |
| No. 0 | unknown | — | — | — | 0.91 |
| Pm-3m (No. 221) | — | — | — | — | — |
Uses
Applications
Where Strontium sulfite is used.
Chemical synthesisLaboratory reagentPrecursor for strontium compounds
Reference
Frequently Asked Questions
Common questions about Strontium sulfite, answered from cross-validated data.
What is O3S1Sr1?
Strontium sulfite is an inorganic salt composed of strontium, sulfur, and oxygen. It is primarily utilized in specialized chemical synthesis and as a precursor for other strontium-containing compounds.
More questions
What is O3S1Sr1 used for?
Strontium sulfite (O3S1Sr1) is used in chemical synthesis, laboratory reagent, and precursor for strontium compounds.
What is the band gap of O3S1Sr1?
Strontium sulfite (O3S1Sr1) has a DFT-computed band gap of 0.54 eV across 8 reported structures.
Is O3S1Sr1 a metal, semiconductor, or insulator?
With a band gap up to 0.54 eV it is a semiconductor.
Is O3S1Sr1 thermodynamically stable?
Strontium sulfite (O3S1Sr1) has a lowest energy above hull of 1.376 eV/atom (above hull).
What is the crystal structure of O3S1Sr1?
The lowest-energy reported polymorph of Strontium sulfite (O3S1Sr1) is triclinic symmetry, space group P-1 (No. 2).
What is the density of O3S1Sr1?
The computed density of the ground-state structure of Strontium sulfite (O3S1Sr1) is 2.98 g/cm³.
How many polymorphs of O3S1Sr1 are known?
8 structures of O3S1Sr1 are reported across 3 databases, spanning 3 distinct space groups.
What elements does O3S1Sr1 contain?
Strontium sulfite (O3S1Sr1) contains O, S, and Sr (3 elements).
Where does the data for O3S1Sr1 come from?
O3S1Sr1 data is cross-referenced from materials_project, cod, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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