Cu4Gd4S12Sr4
Cu4Gd4S12Sr4 is a stable, semiconducting quaternary sulfide compound composed of copper, gadolinium, sulfur, and strontium.
About Cu4Gd4S12Sr4
Cu4Gd4S12Sr4 is a complex quaternary sulfide characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement of copper, gadolinium, sulfur, and strontium atoms. Its structural integrity makes it a significant subject for solid-state chemistry investigations. The material is primarily utilized in academic research settings where the interplay between rare-earth elements and transition metals in sulfide lattices is explored for potential optoelectronic or magnetic applications. Its presence across multiple structural databases underscores its importance as a well-defined, stable compound in the broader landscape of inorganic materials science.
Key Properties
Cross-validated computational properties for Cu4Gd4S12Sr4, 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 Cu4Gd4S12Sr4, 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 | 1.17 | 0.0000 | -7.320 | 5.05 |
| — | — | — | — | — | 4.99 |
| No. 0 | unknown | — | — | — | 1.27 |
| — | — | — | — | — | 4.99 |
| — | — | — | — | — | 4.99 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Cu4Gd4S12Sr4 is used.
Frequently Asked Questions
Common questions about Cu4Gd4S12Sr4, answered from cross-validated data.
What is Cu4Gd4S12Sr4?
Cu4Gd4S12Sr4 is a stable, semiconducting quaternary sulfide compound composed of copper, gadolinium, sulfur, and strontium.
What is Cu4Gd4S12Sr4 used for?
What is the band gap of Cu4Gd4S12Sr4?
Is Cu4Gd4S12Sr4 a metal, semiconductor, or insulator?
Is Cu4Gd4S12Sr4 thermodynamically stable?
What is the crystal structure of Cu4Gd4S12Sr4?
What is the density of Cu4Gd4S12Sr4?
How many polymorphs of Cu4Gd4S12Sr4 are known?
What elements does Cu4Gd4S12Sr4 contain?
Where does the data for Cu4Gd4S12Sr4 come from?
How It Compares
As a unique quaternary sulfide, Cu4Gd4S12Sr4 occupies a specialized niche in materials science. Unlike simpler binary or ternary sulfides, this compound demonstrates how the integration of strontium and gadolinium into a copper-sulfur framework can yield a thermodynamically stable structure, providing a distinct reference point for future studies into complex 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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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