OsTcZr2
OsTcZr2 is a thermodynamically stable, semimetallic ternary intermetallic compound known for its structural diversity.
About OsTcZr2
OsTcZr2 is a complex ternary intermetallic compound characterized by its thermodynamically stable position on the convex hull. Its electronic structure exhibits a near-zero-gap profile, placing it in the category of semimetallic materials that bridge the gap between conductors and insulators. Beyond its fundamental electronic properties, this material is notable for its structural diversity, with multiple reported configurations across various databases. This structural flexibility suggests potential for specialized applications where precise electronic tuning is required.
Key Properties
Cross-validated computational properties for OsTcZr2, aggregated across 3 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 OsTcZr2, 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 | -31.698 | 11.14 |
| Immm (No. 71) | orthorhombic | 0.02 | 4.1078 | -27.590 | 0.94 |
| — | — | — | — | — | 10.52 |
| — | — | — | — | — | 10.52 |
| — | — | — | — | — | — |
Frequently Asked Questions
Common questions about OsTcZr2, answered from cross-validated data.
What is OsTcZr2?
OsTcZr2 is a thermodynamically stable, semimetallic ternary intermetallic compound known for its structural diversity.
What is the band gap of OsTcZr2?
Is OsTcZr2 a metal, semiconductor, or insulator?
Is OsTcZr2 thermodynamically stable?
What is the crystal structure of OsTcZr2?
What is the density of OsTcZr2?
How many polymorphs of OsTcZr2 are known?
What elements does OsTcZr2 contain?
Where does the data for OsTcZr2 come from?
How It Compares
As a unique ternary phase, OsTcZr2 represents a specialized addition to the landscape of intermetallic compounds, standing out for its stability and semimetallic nature in a field where many similar combinations remain highly unstable or difficult to synthesize.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- alexandria — Data from alexandria.
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