CuBi5S8
CuBi5S8 is a semiconducting ternary sulfide that is considered likely to be synthesizable due to its favorable thermodynamic stability.
About CuBi5S8
CuBi5S8 is a complex ternary sulfide composed of copper, bismuth, and sulfur. As a semiconducting material, it occupies a specific niche in inorganic chemistry, drawing attention for its structural complexity and potential for tunable electronic properties. Its status as a near-hull compound suggests it is likely synthesizable under controlled conditions, making it a viable candidate for experimental investigation. The material is characterized by its distinct atomic arrangement, which has been documented across multiple structural databases, reflecting its significance in the study of bismuth-based chalcogenides. Researchers focus on this compound to better understand the interplay between its heavy metal components and sulfur, which often dictates the electronic behavior of such systems in advanced technological applications.
Key Properties
Cross-validated computational properties for CuBi5S8, 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 CuBi5S8, 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. |
|---|---|---|---|---|---|
| C2 (No. 5) | monoclinic | 0.25 | 0.0067 | -26.648 | 6.48 |
| C2 (No. 5) | Monoclinic | — | — | — | 6.48 |
| C2 (No. 5) | Monoclinic | — | — | — | 6.66 |
| C2 (No. 5) | Monoclinic | — | — | — | 6.57 |
| C2 (No. 5) | — | — | — | — | — |
Applications
Where CuBi5S8 is used.
Frequently Asked Questions
Common questions about CuBi5S8, answered from cross-validated data.
What is CuBi5S8?
CuBi5S8 is a semiconducting ternary sulfide that is considered likely to be synthesizable due to its favorable thermodynamic stability.
What is CuBi5S8 used for?
What is the band gap of CuBi5S8?
Is CuBi5S8 a metal, semiconductor, or insulator?
Is CuBi5S8 thermodynamically stable?
What is the crystal structure of CuBi5S8?
What is the density of CuBi5S8?
How many polymorphs of CuBi5S8 are known?
What elements does CuBi5S8 contain?
Where does the data for CuBi5S8 come from?
How It Compares
As a standalone member of its specific ternary sulfide grouping, CuBi5S8 serves as a reference point for understanding how copper and bismuth interact within a sulfur-rich lattice. Without direct structural siblings in this immediate class, it stands as a unique example of how stoichiometry influences the stability and semiconducting nature of complex metal sulfides, providing foundational data for future synthetic efforts in the field.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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