Cu1Hf2Ni1
Cu1Hf2Ni1 is a semiconducting ternary intermetallic compound known for its high structural complexity and metastable nature.
About Cu1Hf2Ni1
Cu1Hf2Ni1 is a complex ternary intermetallic compound that exhibits semiconducting electronic behavior. Its structural landscape is remarkably rich, with numerous distinct configurations documented in materials databases, reflecting a high degree of configurational complexity for this specific elemental combination.
While the compound is currently identified as being above the thermodynamic hull, its existence across multiple structural variants makes it a subject of interest for researchers studying metastable phases. Understanding the stability and electronic properties of such materials is essential for advancing the design of novel functional alloys.
Key Properties
Cross-validated computational properties for Cu1Hf2Ni1, 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.
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 Cu1Hf2Ni1, 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 | 0.25 | 3.5246 | -4.269 | 0.96 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Cu1Hf2Ni1 is used.
Frequently Asked Questions
Common questions about Cu1Hf2Ni1, answered from cross-validated data.
What is Cu1Hf2Ni1?
Cu1Hf2Ni1 is a semiconducting ternary intermetallic compound known for its high structural complexity and metastable nature.
What is Cu1Hf2Ni1 used for?
What is the band gap of Cu1Hf2Ni1?
Is Cu1Hf2Ni1 a metal, semiconductor, or insulator?
Is Cu1Hf2Ni1 thermodynamically stable?
What is the crystal structure of Cu1Hf2Ni1?
What is the density of Cu1Hf2Ni1?
How many polymorphs of Cu1Hf2Ni1 are known?
What elements does Cu1Hf2Ni1 contain?
Where does the data for Cu1Hf2Ni1 come from?
How It Compares
As a unique ternary phase, Cu1Hf2Ni1 represents a distinct point in the compositional space of copper-hafnium-nickel alloys. Without established siblings in this specific class, it serves as a primary reference for investigating how the interplay of these three elements influences semiconducting behavior in metastable intermetallic systems.
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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