Cu2Sc2
Cu2Sc2 is a thermodynamically stable metallic intermetallic compound composed of copper and scandium.
About Cu2Sc2
Cu2Sc2 is a metallic intermetallic compound characterized by its thermodynamic stability on the convex hull. Its electronic structure confirms it acts as a metal, making it a subject of interest for fundamental studies in alloy physics and structural chemistry. The compound exhibits significant structural complexity, supported by a wealth of data across multiple databases. Researchers utilize this material to investigate the interactions between transition metals and rare-earth elements, providing insights into phase formation and stability in binary systems. Its robust nature makes it a reliable candidate for exploring the physical properties of copper-scandium alloys.
Key Properties
Cross-validated computational properties for Cu2Sc2, aggregated across 5 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 Cu2Sc2, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -11.379 | 5.29 |
| R-3m (No. 166) | — | — | — | — | — |
| Pmmn (No. 59) | — | — | — | — | — |
| P21/m (No. 11) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imma (No. 74) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
Applications
Where Cu2Sc2 is used.
Frequently Asked Questions
Common questions about Cu2Sc2, answered from cross-validated data.
What is Cu2Sc2?
Cu2Sc2 is a thermodynamically stable metallic intermetallic compound composed of copper and scandium.
What is Cu2Sc2 used for?
What is the band gap of Cu2Sc2?
Is Cu2Sc2 a metal, semiconductor, or insulator?
Is Cu2Sc2 thermodynamically stable?
What is the crystal structure of Cu2Sc2?
What is the density of Cu2Sc2?
How many polymorphs of Cu2Sc2 are known?
What elements does Cu2Sc2 contain?
Where does the data for Cu2Sc2 come from?
How It Compares
As a distinct binary intermetallic, Cu2Sc2 serves as a foundational example of stable phase formation within copper-scandium systems. While it exists as a singular focus here, its presence on the convex hull highlights its role as a benchmark for understanding the energetic landscape of similar metallic alloys.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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