Hf1Os2Zr1
Hf1Os2Zr1 is a thermodynamically stable, semiconducting intermetallic compound composed of hafnium, osmium, and zirconium.
About Hf1Os2Zr1
Hf1Os2Zr1 is a complex intermetallic compound composed of hafnium, osmium, and zirconium. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of these transition metals, offering a reliable platform for studying multi-component electronic systems.
This material exhibits semiconducting electronic character, distinguishing it from purely metallic alloys. Its structural diversity is highlighted by numerous reported configurations, making it a subject of interest for researchers investigating the interplay between heavy transition metals in solid-state chemistry.
Key Properties
Cross-validated computational properties for Hf1Os2Zr1, 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 Hf1Os2Zr1, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -44.225 | 15.62 |
| Immm (No. 71) | orthorhombic | 0.13 | 4.4135 | -39.811 | 1.69 |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Hf1Os2Zr1 is used.
Frequently Asked Questions
Common questions about Hf1Os2Zr1, answered from cross-validated data.
What is Hf1Os2Zr1?
Hf1Os2Zr1 is a thermodynamically stable, semiconducting intermetallic compound composed of hafnium, osmium, and zirconium.
What is Hf1Os2Zr1 used for?
What is the band gap of Hf1Os2Zr1?
Is Hf1Os2Zr1 a metal, semiconductor, or insulator?
Is Hf1Os2Zr1 thermodynamically stable?
What is the crystal structure of Hf1Os2Zr1?
What is the density of Hf1Os2Zr1?
How many polymorphs of Hf1Os2Zr1 are known?
What elements does Hf1Os2Zr1 contain?
Where does the data for Hf1Os2Zr1 come from?
How It Compares
As a unique ternary intermetallic, Hf1Os2Zr1 occupies a distinct position in materials science, serving as a foundational example of how heavy transition metals can be combined to achieve thermodynamic stability while maintaining semiconducting properties.
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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