Sr4S3O
Sr4S3O is a semiconducting strontium oxysulfide compound that exists in a metastable state.
About Sr4S3O
Sr4S3O is a complex strontium-based oxysulfide that exhibits semiconducting electronic properties. Its unique composition of strontium, sulfur, and oxygen places it in a specialized category of inorganic compounds often explored for their potential in optoelectronic applications.
While this material has been identified in multiple structural configurations across various databases, it is characterized as being thermodynamically unstable relative to the ground state. This meta-stable nature makes it a subject of significant interest for researchers investigating phase formation and synthetic pathways in complex chalcogenide systems.
Key Properties
Cross-validated computational properties for Sr4S3O, 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.
Reported Structures
Lowest-energy structures reported for Sr4S3O, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 2.11 | 0.1440 | -5.436 | 3.74 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 3.74 |
| Pm-3m (No. 221) | Cubic | — | — | — | 3.77 |
| Pm-3m (No. 221) | Cubic | — | — | — | 3.77 |
Applications
Where Sr4S3O is used.
Frequently Asked Questions
Common questions about Sr4S3O, answered from cross-validated data.
What is Sr4S3O?
Sr4S3O is a semiconducting strontium oxysulfide compound that exists in a metastable state.
What is Sr4S3O used for?
What is the band gap of Sr4S3O?
Is Sr4S3O a metal, semiconductor, or insulator?
Is Sr4S3O thermodynamically stable?
What is the crystal structure of Sr4S3O?
What is the density of Sr4S3O?
How many polymorphs of Sr4S3O are known?
What elements does Sr4S3O contain?
Where does the data for Sr4S3O come from?
How It Compares
As a unique strontium oxysulfide, Sr4S3O serves as a distinct example of the structural diversity found in alkaline earth chalcogenides. Without direct structural siblings in this specific stoichiometry, it occupies a niche position in materials science, highlighting the challenges and opportunities in stabilizing complex oxysulfides for future technological utility.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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