BiS3Sb
BiS3Sb is a semiconducting ternary sulfide that is considered a promising candidate for experimental synthesis.
About BiS3Sb
BiS3Sb is a ternary sulfide composed of bismuth, antimony, and sulfur. As a semiconducting material, it occupies a unique space in inorganic chemistry, drawing interest from researchers focused on chalcogenide-based electronic components.
Its thermodynamic status as a near-hull phase suggests that it is likely synthesizable under appropriate experimental conditions. The existence of multiple reported structures across databases highlights its significance as a candidate for further investigation in solid-state synthesis and materials discovery.
Key Properties
Cross-validated computational properties for BiS3Sb, 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 BiS3Sb, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.35 | 0.0023 | -22.011 | 5.37 |
| — | — | — | — | — | 4.21 |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
Applications
Where BiS3Sb is used.
Frequently Asked Questions
Common questions about BiS3Sb, answered from cross-validated data.
What is BiS3Sb?
BiS3Sb is a semiconducting ternary sulfide that is considered a promising candidate for experimental synthesis.
What is BiS3Sb used for?
What is the band gap of BiS3Sb?
Is BiS3Sb a metal, semiconductor, or insulator?
Is BiS3Sb thermodynamically stable?
What is the crystal structure of BiS3Sb?
What is the density of BiS3Sb?
How many polymorphs of BiS3Sb are known?
What elements does BiS3Sb contain?
Where does the data for BiS3Sb come from?
How It Compares
As a ternary sulfide, BiS3Sb represents a distinct composition within the broader family of bismuth-antimony-sulfur systems. While it lacks direct structural siblings in this specific dataset, its role as a near-hull semiconducting phase positions it as a valuable reference point for understanding the stability and electronic behavior of complex chalcogenides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- alexandria — Data from alexandria.
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