Li1Os2Ta1
Li1Os2Ta1 is a semiconducting ternary compound containing lithium, osmium, and tantalum that exhibits complex structural characteristics.
About Li1Os2Ta1
Li1Os2Ta1 is a complex ternary compound composed of lithium, osmium, and tantalum. Its electronic character is defined as semiconducting, marking it as an interesting subject for fundamental research into the interplay between transition metals and alkali elements.
Despite its structural diversity, with numerous reported configurations, the compound is characterized as being above the thermodynamic hull. This suggests that it may be metastable under standard conditions, requiring specific synthetic pathways to stabilize its crystalline framework.
Key Properties
Cross-validated computational properties for Li1Os2Ta1, 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 Li1Os2Ta1, 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 | 0.27 | 3.7969 | -35.600 | 1.23 |
| C2/m (No. 12) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
Applications
Where Li1Os2Ta1 is used.
Frequently Asked Questions
Common questions about Li1Os2Ta1, answered from cross-validated data.
What is Li1Os2Ta1?
Li1Os2Ta1 is a semiconducting ternary compound containing lithium, osmium, and tantalum that exhibits complex structural characteristics.
What is Li1Os2Ta1 used for?
What is the band gap of Li1Os2Ta1?
Is Li1Os2Ta1 a metal, semiconductor, or insulator?
Is Li1Os2Ta1 thermodynamically stable?
What is the crystal structure of Li1Os2Ta1?
What is the density of Li1Os2Ta1?
How many polymorphs of Li1Os2Ta1 are known?
What elements does Li1Os2Ta1 contain?
Where does the data for Li1Os2Ta1 come from?
How It Compares
As a unique ternary phase, Li1Os2Ta1 represents a specialized case within the broader landscape of lithium-based transition metal systems. Without direct structural siblings in this specific chemical space, it serves as a distinct example of the challenges associated with stabilizing complex, multi-elemental semiconductors.
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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