Cu2Sc1Y1
This compound is a ternary intermetallic phase composed of copper, scandium, and yttrium. It is primarily studied in materials science research for its structural properties and potential behavior in alloy systems.
CuScY
Overview
Key Properties
Cross-validated computational properties for Cu2Sc1Y1, aggregated across 2 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.
0.04 eV
Range across DFT structures
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.
2.546 eV/atom
Best (lowest) across sources
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.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
29
2 databases, 13 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cu2Sc1Y1, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.04 | 2.5463 | -11.056 | 0.57 |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
Uses
Applications
Where Cu2Sc1Y1 is used.
Materials science researchFundamental crystallographic studiesAlloy development
Reference
Frequently Asked Questions
Common questions about Cu2Sc1Y1, answered from cross-validated data.
What is Cu2Sc1Y1?
This compound is a ternary intermetallic phase composed of copper, scandium, and yttrium. It is primarily studied in materials science research for its structural properties and potential behavior in alloy systems.
More questions
What is Cu2Sc1Y1 used for?
Cu2Sc1Y1 is used in materials science research, fundamental crystallographic studies, and alloy development.
What is the band gap of Cu2Sc1Y1?
Cu2Sc1Y1 has a DFT-computed band gap of 0.04 eV across 29 reported structures.
Is Cu2Sc1Y1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Cu2Sc1Y1 thermodynamically stable?
Cu2Sc1Y1 has a lowest energy above hull of 2.546 eV/atom (above hull).
What is the crystal structure of Cu2Sc1Y1?
The lowest-energy reported polymorph of Cu2Sc1Y1 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Cu2Sc1Y1?
The computed density of the ground-state structure of Cu2Sc1Y1 is 0.57 g/cm³.
How many polymorphs of Cu2Sc1Y1 are known?
29 structures of Cu2Sc1Y1 are reported across 2 databases, spanning 13 distinct space groups.
What elements does Cu2Sc1Y1 contain?
Cu2Sc1Y1 contains Cu, Sc, and Y (3 elements).
Where does the data for Cu2Sc1Y1 come from?
Cu2Sc1Y1 data is cross-referenced from materials_project, aflow.
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).
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