Fe1Os1Ti2
Fe1Os1Ti2 is a thermodynamically stable semimetallic compound composed of iron, osmium, and titanium.
About Fe1Os1Ti2
Fe1Os1Ti2 is a complex ternary compound characterized by its thermodynamically stable nature, as it sits directly on the convex hull. Its electronic structure exhibits semimetallic behavior, positioning it as a material of interest for fundamental studies in condensed matter physics and electronic transport phenomena.
With numerous reported structural configurations, this compound represents a versatile subject for materials scientists investigating the interplay between transition metals. Its stability suggests potential for integration into specialized hardware where robust, near-zero-gap electronic properties are required.
Key Properties
Cross-validated computational properties for Fe1Os1Ti2, 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 Fe1Os1Ti2, 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 | -9.437 | 10.27 |
| Immm (No. 71) | orthorhombic | 0.05 | 3.8510 | -5.586 | 0.80 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where Fe1Os1Ti2 is used.
Frequently Asked Questions
Common questions about Fe1Os1Ti2, answered from cross-validated data.
What is Fe1Os1Ti2?
Fe1Os1Ti2 is a thermodynamically stable semimetallic compound composed of iron, osmium, and titanium.
What is Fe1Os1Ti2 used for?
What is the band gap of Fe1Os1Ti2?
Is Fe1Os1Ti2 a metal, semiconductor, or insulator?
Is Fe1Os1Ti2 thermodynamically stable?
What is the crystal structure of Fe1Os1Ti2?
What is the density of Fe1Os1Ti2?
How many polymorphs of Fe1Os1Ti2 are known?
What elements does Fe1Os1Ti2 contain?
Where does the data for Fe1Os1Ti2 come from?
How It Compares
As a unique ternary phase, Fe1Os1Ti2 occupies a distinct niche in materials science, serving as a primary example of stable transition metal combinations that exhibit semimetallic characteristics without the need for complex doping.
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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