Cu2Hf1Mg1
This compound is a ternary intermetallic phase composed of copper, hafnium, and magnesium. It is primarily studied in materials science research for its structural properties and potential role in alloy development.
CuHfMg
Overview
Key Properties
Cross-validated computational properties for Cu2Hf1Mg1, 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.
0.30 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.
2.477 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.
27
2 databases, 18 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cu2Hf1Mg1, 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 | 0.30 | 2.4768 | -2.613 | 0.68 |
| Pm (No. 6) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
Uses
Applications
Where Cu2Hf1Mg1 is used.
Materials science researchAlloy development studies
Reference
Frequently Asked Questions
Common questions about Cu2Hf1Mg1, answered from cross-validated data.
What is Cu2Hf1Mg1?
This compound is a ternary intermetallic phase composed of copper, hafnium, and magnesium. It is primarily studied in materials science research for its structural properties and potential role in alloy development.
More questions
What is Cu2Hf1Mg1 used for?
Cu2Hf1Mg1 is used in materials science research and alloy development studies.
What is the band gap of Cu2Hf1Mg1?
Cu2Hf1Mg1 has a DFT-computed band gap of 0.30 eV across 27 reported structures.
Is Cu2Hf1Mg1 a metal, semiconductor, or insulator?
With a band gap up to 0.30 eV it is a semiconductor.
Is Cu2Hf1Mg1 thermodynamically stable?
Cu2Hf1Mg1 has a lowest energy above hull of 2.477 eV/atom (above hull).
What is the crystal structure of Cu2Hf1Mg1?
The lowest-energy reported polymorph of Cu2Hf1Mg1 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Cu2Hf1Mg1?
The computed density of the ground-state structure of Cu2Hf1Mg1 is 0.68 g/cm³.
How many polymorphs of Cu2Hf1Mg1 are known?
27 structures of Cu2Hf1Mg1 are reported across 2 databases, spanning 18 distinct space groups.
What elements does Cu2Hf1Mg1 contain?
Cu2Hf1Mg1 contains Cu, Hf, and Mg (3 elements).
Where does the data for Cu2Hf1Mg1 come from?
Cu2Hf1Mg1 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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