Bi4Cu12S12
Bi4Cu12S12 is a semiconducting bismuth copper sulfide that is considered thermodynamically stable and a viable candidate for synthesis.
About Bi4Cu12S12
Bi4Cu12S12 is a complex sulfide compound composed of bismuth, copper, and sulfur. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for researchers investigating specialized optoelectronic and thermoelectric applications.
This compound is classified as near-hull, indicating that it is thermodynamically stable and likely synthesizable under appropriate laboratory conditions. Its presence across multiple structural databases underscores its significance as a material worthy of further experimental investigation.
Key Properties
Cross-validated computational properties for Bi4Cu12S12, aggregated across 4 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 Bi4Cu12S12, 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 | 0.71 | 0.0136 | -16.725 | 6.02 |
| No. 0 | unknown | — | — | — | 1.53 |
| P212121 (No. 19) | — | — | — | — | — |
| P212121 (No. 19) | — | — | — | — | — |
| P212121 (No. 19) | — | — | — | — | — |
| P212121 (No. 19) | — | — | — | — | — |
| P212121 (No. 19) | — | — | — | — | — |
Applications
Where Bi4Cu12S12 is used.
Frequently Asked Questions
Common questions about Bi4Cu12S12, answered from cross-validated data.
What is Bi4Cu12S12?
Bi4Cu12S12 is a semiconducting bismuth copper sulfide that is considered thermodynamically stable and a viable candidate for synthesis.
What is Bi4Cu12S12 used for?
What is the band gap of Bi4Cu12S12?
Is Bi4Cu12S12 a metal, semiconductor, or insulator?
Is Bi4Cu12S12 thermodynamically stable?
What is the crystal structure of Bi4Cu12S12?
What is the density of Bi4Cu12S12?
How many polymorphs of Bi4Cu12S12 are known?
What elements does Bi4Cu12S12 contain?
Where does the data for Bi4Cu12S12 come from?
How It Compares
As a unique sulfide phase, Bi4Cu12S12 occupies a distinct niche within the broader landscape of bismuth-copper-sulfur systems. While it lacks direct structural siblings in this specific classification, its stability profile positions it as a compelling candidate for comparative studies against more common ternary sulfides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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