Os1Y2Zn1
Os1Y2Zn1 is a semiconducting ternary intermetallic compound composed of osmium, yttrium, and zinc that exists as a metastable phase.
About Os1Y2Zn1
Os1Y2Zn1 is a complex ternary compound composed of osmium, yttrium, and zinc. It is characterized by a semiconducting electronic structure, making it a subject of interest for researchers investigating the interplay between heavy transition metals and rare-earth elements in solid-state chemistry.
Despite its structural complexity, the compound is identified as being thermodynamically above the hull, suggesting it is a metastable phase. Its existence is documented across multiple structural configurations, highlighting its role as a challenging target for synthesis and computational modeling in materials science.
Key Properties
Cross-validated computational properties for Os1Y2Zn1, 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 Os1Y2Zn1, 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 | 0.13 | 2.7536 | -23.236 | 0.54 |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Amm2 (No. 38) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where Os1Y2Zn1 is used.
Frequently Asked Questions
Common questions about Os1Y2Zn1, answered from cross-validated data.
What is Os1Y2Zn1?
Os1Y2Zn1 is a semiconducting ternary intermetallic compound composed of osmium, yttrium, and zinc that exists as a metastable phase.
What is Os1Y2Zn1 used for?
What is the band gap of Os1Y2Zn1?
Is Os1Y2Zn1 a metal, semiconductor, or insulator?
Is Os1Y2Zn1 thermodynamically stable?
What is the crystal structure of Os1Y2Zn1?
What is the density of Os1Y2Zn1?
How many polymorphs of Os1Y2Zn1 are known?
What elements does Os1Y2Zn1 contain?
Where does the data for Os1Y2Zn1 come from?
How It Compares
As a unique ternary phase, Os1Y2Zn1 represents a niche area of study in intermetallic chemistry, serving as a distinct example of how transition metals and rare-earth components can be combined to achieve specific semiconducting characteristics.
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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