Cu1Ga1Zr2
This is a ternary intermetallic compound composed of copper, gallium, and zirconium. It is primarily studied in materials science research for its structural properties and potential behavior in alloy systems.
CuGaZr
Overview
Key Properties
Cross-validated computational properties for Cu1Ga1Zr2, 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.
0.02 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.
3.345 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.
26
2 databases, 16 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cu1Ga1Zr2, 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 | 0.02 | 3.3448 | -3.114 | 0.57 |
| Cm (No. 8) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Uses
Applications
Where Cu1Ga1Zr2 is used.
Materials science researchAlloy development studies
Reference
Frequently Asked Questions
Common questions about Cu1Ga1Zr2, answered from cross-validated data.
What is Cu1Ga1Zr2?
This is a ternary intermetallic compound composed of copper, gallium, and zirconium. It is primarily studied in materials science research for its structural properties and potential behavior in alloy systems.
More questions
What is Cu1Ga1Zr2 used for?
Cu1Ga1Zr2 is used in materials science research and alloy development studies.
What is the band gap of Cu1Ga1Zr2?
Cu1Ga1Zr2 has a DFT-computed band gap of 0.02 eV across 26 reported structures.
Is Cu1Ga1Zr2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Cu1Ga1Zr2 thermodynamically stable?
Cu1Ga1Zr2 has a lowest energy above hull of 3.345 eV/atom (above hull).
What is the crystal structure of Cu1Ga1Zr2?
The lowest-energy reported polymorph of Cu1Ga1Zr2 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Cu1Ga1Zr2?
The computed density of the ground-state structure of Cu1Ga1Zr2 is 0.57 g/cm³.
How many polymorphs of Cu1Ga1Zr2 are known?
26 structures of Cu1Ga1Zr2 are reported across 2 databases, spanning 16 distinct space groups.
What elements does Cu1Ga1Zr2 contain?
Cu1Ga1Zr2 contains Cu, Ga, and Zr (3 elements).
Where does the data for Cu1Ga1Zr2 come from?
Cu1Ga1Zr2 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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