CuS2Sc
CuS2Sc is a stable, semiconducting ternary compound consisting of copper, sulfur, and scandium.
About CuS2Sc
CuS2Sc is a distinct ternary compound composed of copper, sulfur, and scandium. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these elements that is well-suited for further investigation in materials science. Its electronic character as a semiconductor suggests interesting potential for specialized electronic or optoelectronic applications. With multiple reported structures across databases, this material is a subject of ongoing interest for researchers exploring complex chalcogenide systems. Its stability and semiconducting nature make it a compelling candidate for studies into how specific elemental combinations influence electronic behavior in solid-state systems.
Key Properties
Cross-validated computational properties for CuS2Sc, 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 CuS2Sc, 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. |
|---|---|---|---|---|---|
| P3m1 (No. 156) | trigonal | 0.87 | 0.0000 | -11.053 | 3.95 |
| — | — | — | — | — | 3.90 |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | 3.54 |
Applications
Where CuS2Sc is used.
Frequently Asked Questions
Common questions about CuS2Sc, answered from cross-validated data.
What is CuS2Sc?
CuS2Sc is a stable, semiconducting ternary compound consisting of copper, sulfur, and scandium.
What is CuS2Sc used for?
What is the band gap of CuS2Sc?
Is CuS2Sc a metal, semiconductor, or insulator?
Is CuS2Sc thermodynamically stable?
What is the crystal structure of CuS2Sc?
What is the density of CuS2Sc?
How many polymorphs of CuS2Sc are known?
What elements does CuS2Sc contain?
Where does the data for CuS2Sc come from?
How It Compares
As a unique ternary compound, CuS2Sc occupies a specific niche in materials research, serving as a stable reference point for understanding the interplay between copper, sulfur, and scandium. While it stands as a singular entry in this context, its thermodynamic stability distinguishes it as a reliable structure for benchmarking future computational and experimental studies within the broader landscape of semiconducting chalcogenides.
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).
- alexandria — Data from alexandria.
Analyze CuS2Sc in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →