Bi16Cu16Pt16S48
Bi16Cu16Pt16S48 is a thermodynamically stable semiconducting quaternary sulfide composed of bismuth, copper, platinum, and sulfur.
About Bi16Cu16Pt16S48
Bi16Cu16Pt16S48 is a complex quaternary sulfide characterized by its semiconducting electronic nature. As a material that resides on the convex hull, it exhibits significant thermodynamic stability, marking it as a robust candidate for further investigation in solid-state chemistry.
Its unique composition of bismuth, copper, platinum, and sulfur suggests potential for specialized electronic or optoelectronic roles. Given its stable structural configuration, it serves as an intriguing subject for researchers aiming to understand the interplay between heavy metal cations and chalcogenide frameworks.
Key Properties
Cross-validated computational properties for Bi16Cu16Pt16S48, 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 Bi16Cu16Pt16S48, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 0.47 | 0.0000 | -24.614 | 7.74 |
| — | — | — | — | — | 7.55 |
| No. 0 | unknown | — | — | — | 1.92 |
Applications
Where Bi16Cu16Pt16S48 is used.
Frequently Asked Questions
Common questions about Bi16Cu16Pt16S48, answered from cross-validated data.
What is Bi16Cu16Pt16S48?
Bi16Cu16Pt16S48 is a thermodynamically stable semiconducting quaternary sulfide composed of bismuth, copper, platinum, and sulfur.
What is Bi16Cu16Pt16S48 used for?
What is the band gap of Bi16Cu16Pt16S48?
Is Bi16Cu16Pt16S48 a metal, semiconductor, or insulator?
Is Bi16Cu16Pt16S48 thermodynamically stable?
What is the crystal structure of Bi16Cu16Pt16S48?
What is the density of Bi16Cu16Pt16S48?
How many polymorphs of Bi16Cu16Pt16S48 are known?
What elements does Bi16Cu16Pt16S48 contain?
Where does the data for Bi16Cu16Pt16S48 come from?
How It Compares
As a quaternary sulfide, this compound represents a sophisticated structural arrangement within the broader landscape of complex metal-sulfide semiconductors. While it stands as a distinct entity, its stability and electronic profile position it as a valuable reference point for studying the synthesis and behavior of multi-element chalcogenide systems.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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