Cu1Hf2Mo1
Cu1Hf2Mo1 is a semimetallic, metastable ternary compound containing copper, hafnium, and molybdenum.
About Cu1Hf2Mo1
Cu1Hf2Mo1 is a complex ternary compound composed of copper, hafnium, and molybdenum. Characterized as a near-zero-gap semimetallic material, it exhibits electronic properties that place it at the intersection of metallic and semiconducting behavior.
Despite its structural diversity, with numerous reported configurations in crystallographic databases, this compound is considered thermodynamically unstable as it resides above the stability hull. Its existence as a metastable phase makes it a subject of interest for researchers studying phase formation and synthesis pathways in multi-element transition metal systems.
Key Properties
Cross-validated computational properties for Cu1Hf2Mo1, 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 Cu1Hf2Mo1, 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 | 0.05 | 3.7010 | -5.181 | 1.04 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cu1Hf2Mo1, answered from cross-validated data.
What is Cu1Hf2Mo1?
Cu1Hf2Mo1 is a semimetallic, metastable ternary compound containing copper, hafnium, and molybdenum.
What is the band gap of Cu1Hf2Mo1?
Is Cu1Hf2Mo1 a metal, semiconductor, or insulator?
Is Cu1Hf2Mo1 thermodynamically stable?
What is the crystal structure of Cu1Hf2Mo1?
What is the density of Cu1Hf2Mo1?
How many polymorphs of Cu1Hf2Mo1 are known?
What elements does Cu1Hf2Mo1 contain?
Where does the data for Cu1Hf2Mo1 come from?
How It Compares
As a unique ternary phase, Cu1Hf2Mo1 represents a specialized case within the broader landscape of copper-hafnium-molybdenum intermetallics, where its semimetallic nature and metastable status distinguish it from more conventional, highly stable alloy phases.
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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