Bi1Li2Tl1
Bi1Li2Tl1 is a semiconducting ternary intermetallic compound that is considered thermodynamically stable enough to be synthesized in a laboratory setting.
About Bi1Li2Tl1
Bi1Li2Tl1 is a ternary intermetallic compound characterized by its semiconducting electronic structure. Its composition, involving bismuth, lithium, and thallium, places it in a unique structural category where electronic properties are dictated by the specific arrangement of these heavy and light elements.
This material is classified as a near-hull phase, indicating high thermodynamic stability that suggests it is a viable target for experimental synthesis. The existence of multiple reported structural configurations highlights the complex landscape of this specific chemical system.
Key Properties
Cross-validated computational properties for Bi1Li2Tl1, 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 Bi1Li2Tl1, 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 | 0.23 | 0.0045 | -29.539 | 7.75 |
| Pmmm (No. 47) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
Applications
Where Bi1Li2Tl1 is used.
Frequently Asked Questions
Common questions about Bi1Li2Tl1, answered from cross-validated data.
What is Bi1Li2Tl1?
Bi1Li2Tl1 is a semiconducting ternary intermetallic compound that is considered thermodynamically stable enough to be synthesized in a laboratory setting.
What is Bi1Li2Tl1 used for?
What is the band gap of Bi1Li2Tl1?
Is Bi1Li2Tl1 a metal, semiconductor, or insulator?
Is Bi1Li2Tl1 thermodynamically stable?
What is the crystal structure of Bi1Li2Tl1?
What is the density of Bi1Li2Tl1?
How many polymorphs of Bi1Li2Tl1 are known?
What elements does Bi1Li2Tl1 contain?
Where does the data for Bi1Li2Tl1 come from?
How It Compares
As a unique ternary phase, Bi1Li2Tl1 serves as a foundational example of semiconducting behavior within this specific multielemental space, providing a critical reference point for future studies of similar bismuth-lithium-thallium intermetallics.
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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