Cu12Ge2S16W2
Cu12Ge2S16W2 is a stable, semiconducting quaternary sulfide material composed of copper, germanium, sulfur, and tungsten.
About Cu12Ge2S16W2
Cu12Ge2S16W2 is a complex quaternary sulfide characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of copper, germanium, sulfur, and tungsten atoms.
This material is of significant interest in solid-state chemistry due to its structural complexity and stability. Its unique composition makes it a candidate for investigation in specialized electronic and optoelectronic applications where stable, semiconductor-based sulfide frameworks are required.
Key Properties
Cross-validated computational properties for Cu12Ge2S16W2, 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 Cu12Ge2S16W2, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 0.82 | 0.0000 | -5.346 | 4.81 |
| P63mc (No. 186) | — | — | — | — | — |
| — | — | — | — | — | 4.18 |
Applications
Where Cu12Ge2S16W2 is used.
Frequently Asked Questions
Common questions about Cu12Ge2S16W2, answered from cross-validated data.
What is Cu12Ge2S16W2?
Cu12Ge2S16W2 is a stable, semiconducting quaternary sulfide material composed of copper, germanium, sulfur, and tungsten.
What is Cu12Ge2S16W2 used for?
What is the band gap of Cu12Ge2S16W2?
Is Cu12Ge2S16W2 a metal, semiconductor, or insulator?
Is Cu12Ge2S16W2 thermodynamically stable?
What is the crystal structure of Cu12Ge2S16W2?
What is the density of Cu12Ge2S16W2?
How many polymorphs of Cu12Ge2S16W2 are known?
What elements does Cu12Ge2S16W2 contain?
Where does the data for Cu12Ge2S16W2 come from?
How It Compares
As a unique quaternary sulfide, Cu12Ge2S16W2 occupies a distinct position within the landscape of complex chalcogenides. While many similar materials often require specific synthesis conditions to maintain phase purity, this compound is notable for its inherent thermodynamic stability, providing a reliable baseline for studying the interplay between its constituent heavy metals and sulfur.
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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