S10Sm4Sn2
S10Sm4Sn2 is a semimetallic samarium tin sulfide that is theoretically stable and likely synthesizable for solid-state material studies.
About S10Sm4Sn2
S10Sm4Sn2 is a complex sulfide incorporating samarium and tin, characterized by a near-zero-gap electronic structure that places it in the semimetallic regime. Its composition suggests a unique arrangement of chalcogenide polyhedra that balances structural complexity with electronic versatility.
As a material residing near the convex hull of stability, this compound is considered a prime candidate for experimental synthesis. Its existence across multiple structural databases underscores its potential significance in the exploration of rare-earth tin sulfide systems.
Key Properties
Cross-validated computational properties for S10Sm4Sn2, 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 S10Sm4Sn2, 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. |
|---|---|---|---|---|---|
| Pbam (No. 55) | orthorhombic | 0.01 | 0.0035 | -6.008 | 5.56 |
| Pbam (No. 55) | — | — | — | — | — |
| — | — | — | — | — | 5.51 |
Applications
Where S10Sm4Sn2 is used.
Frequently Asked Questions
Common questions about S10Sm4Sn2, answered from cross-validated data.
What is S10Sm4Sn2?
S10Sm4Sn2 is a semimetallic samarium tin sulfide that is theoretically stable and likely synthesizable for solid-state material studies.
What is S10Sm4Sn2 used for?
What is the band gap of S10Sm4Sn2?
Is S10Sm4Sn2 a metal, semiconductor, or insulator?
Is S10Sm4Sn2 thermodynamically stable?
What is the crystal structure of S10Sm4Sn2?
What is the density of S10Sm4Sn2?
How many polymorphs of S10Sm4Sn2 are known?
What elements does S10Sm4Sn2 contain?
Where does the data for S10Sm4Sn2 come from?
How It Compares
As a unique ternary chalcogenide, S10Sm4Sn2 represents a specialized structural motif within the broader landscape of rare-earth tin sulfides. Unlike simpler binary or common ternary sulfides, this compound demonstrates a distinct stoichiometry that allows it to occupy a stable configuration, providing a valuable reference point for understanding the electronic behavior of semimetallic rare-earth compounds.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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