Fe1Hf2Zn1
Fe1Hf2Zn1 is a semiconducting ternary compound consisting of iron, hafnium, and zinc that is currently identified as a metastable phase.
About Fe1Hf2Zn1
Fe1Hf2Zn1 is a complex ternary compound composed of iron, hafnium, and zinc. As a semiconducting material, it represents a unique intersection of transition and post-transition metals that warrants further investigation into its electronic properties.
While the compound exhibits a diverse range of reported structural configurations, it is currently categorized as thermodynamically unstable relative to its constituent elements. This status highlights the ongoing research interest in understanding the synthesis conditions required to stabilize such intricate metallic phases.
Key Properties
Cross-validated computational properties for Fe1Hf2Zn1, 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 Fe1Hf2Zn1, 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 | 0.58 | 3.3309 | -4.327 | 0.91 |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Fe1Hf2Zn1, answered from cross-validated data.
What is Fe1Hf2Zn1?
Fe1Hf2Zn1 is a semiconducting ternary compound consisting of iron, hafnium, and zinc that is currently identified as a metastable phase.
What is the band gap of Fe1Hf2Zn1?
Is Fe1Hf2Zn1 a metal, semiconductor, or insulator?
Is Fe1Hf2Zn1 thermodynamically stable?
What is the crystal structure of Fe1Hf2Zn1?
What is the density of Fe1Hf2Zn1?
How many polymorphs of Fe1Hf2Zn1 are known?
What elements does Fe1Hf2Zn1 contain?
Where does the data for Fe1Hf2Zn1 come from?
How It Compares
As a specialized ternary phase, Fe1Hf2Zn1 occupies a niche position in materials science research where the interplay between iron, hafnium, and zinc creates distinct electronic environments that differ significantly from simpler binary alloys.
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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