Mo1Os1Ti2
Mo1Os1Ti2 is a stable, semimetallic ternary intermetallic compound composed of molybdenum, osmium, and titanium.
About Mo1Os1Ti2
Mo1Os1Ti2 is a complex ternary intermetallic compound composed of molybdenum, osmium, and titanium. Its electronic structure characterizes it as a semimetallic material, placing it in a unique position between traditional conductors and insulators.
Due to its near-hull thermodynamic stability, this compound is considered a strong candidate for experimental synthesis. It represents an interesting case study for researchers investigating the interplay of transition metals in multi-component crystalline phases.
Key Properties
Cross-validated computational properties for Mo1Os1Ti2, 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 Mo1Os1Ti2, 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 | 0.0216 | -26.680 | 10.51 |
| Immm (No. 71) | orthorhombic | 0.03 | 4.1373 | -22.564 | 0.87 |
| F-43m (No. 216) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where Mo1Os1Ti2 is used.
Frequently Asked Questions
Common questions about Mo1Os1Ti2, answered from cross-validated data.
What is Mo1Os1Ti2?
Mo1Os1Ti2 is a stable, semimetallic ternary intermetallic compound composed of molybdenum, osmium, and titanium.
What is Mo1Os1Ti2 used for?
What is the band gap of Mo1Os1Ti2?
Is Mo1Os1Ti2 a metal, semiconductor, or insulator?
Is Mo1Os1Ti2 thermodynamically stable?
What is the crystal structure of Mo1Os1Ti2?
What is the density of Mo1Os1Ti2?
How many polymorphs of Mo1Os1Ti2 are known?
What elements does Mo1Os1Ti2 contain?
Where does the data for Mo1Os1Ti2 come from?
How It Compares
As a unique ternary phase, Mo1Os1Ti2 serves as a specialized example of how combining molybdenum, osmium, and titanium can result in stable, semimetallic configurations that are not typically found in simpler binary alloy systems.
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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