Cu4La12O8S12
Cu4La12O8S12 is a thermodynamically stable, semiconducting copper-lanthanum oxysulfide that serves as a structural reference within the broader cuprate material class.
About Cu4La12O8S12
Cu4La12O8S12 is a complex quaternary compound belonging to the cuprate family. Characterized by its semiconducting electronic nature, this material maintains thermodynamic stability, positioning it as a robust candidate for structural and electronic investigations within its class. Its unique arrangement of copper, lanthanum, oxygen, and sulfur atoms highlights the chemical diversity possible within cuprate-related systems.
This compound is primarily of interest to researchers studying the fundamental electronic properties of copper-based oxides and sulfides. By existing on the convex hull, it serves as a stable reference point for understanding phase relationships and structural evolution in materials that share the cuprate architectural framework.
Key Properties
Cross-validated computational properties for Cu4La12O8S12, 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 Cu4La12O8S12, 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 | 0.97 | 0.0000 | -7.321 | 5.79 |
| — | — | — | — | — | 5.79 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Cu4La12O8S12 is used.
Frequently Asked Questions
Common questions about Cu4La12O8S12, answered from cross-validated data.
What is Cu4La12O8S12?
Cu4La12O8S12 is a thermodynamically stable, semiconducting copper-lanthanum oxysulfide that serves as a structural reference within the broader cuprate material class.
What is Cu4La12O8S12 used for?
What is the band gap of Cu4La12O8S12?
Is Cu4La12O8S12 a metal, semiconductor, or insulator?
Is Cu4La12O8S12 thermodynamically stable?
What is the crystal structure of Cu4La12O8S12?
What is the density of Cu4La12O8S12?
How many polymorphs of Cu4La12O8S12 are known?
What elements does Cu4La12O8S12 contain?
Where does the data for Cu4La12O8S12 come from?
How It Compares
Within the cuprate superconductors class.
Unlike the prototypical high-temperature superconducting cuprates such as La2CuO4 or CaCuO2, which are often studied for their metallic or superconducting phases, Cu4La12O8S12 exhibits a distinct semiconducting character. While many members of this class are oxygen-only systems, the inclusion of sulfur in this structure differentiates its bonding environment and electronic behavior from common oxides like BaCuO2 or YCuO2.
Related Compounds
Other Cuprate Superconductors in the database.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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