Bi1Li2Sn1
Bi1Li2Sn1 is a semimetallic ternary intermetallic compound containing bismuth, lithium, and tin that exists in a metastable state.
About Bi1Li2Sn1
Bi1Li2Sn1 is a ternary intermetallic compound composed of bismuth, lithium, and tin. Characterized by a near-zero electronic gap, this material exhibits semimetallic behavior that distinguishes its charge carrier dynamics from typical insulators or metals.
Due to its position above the thermodynamic hull, this compound is considered metastable, reflecting a complex energy landscape. Its structural diversity is highlighted by numerous reported configurations, making it a subject of interest for researchers investigating the phase stability of lithium-bearing intermetallics.
Key Properties
Cross-validated computational properties for Bi1Li2Sn1, 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 Bi1Li2Sn1, 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 | 0.09 | 1.3985 | -1.889 | 0.54 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Bi1Li2Sn1, answered from cross-validated data.
What is Bi1Li2Sn1?
Bi1Li2Sn1 is a semimetallic ternary intermetallic compound containing bismuth, lithium, and tin that exists in a metastable state.
What is the band gap of Bi1Li2Sn1?
Is Bi1Li2Sn1 a metal, semiconductor, or insulator?
Is Bi1Li2Sn1 thermodynamically stable?
What is the crystal structure of Bi1Li2Sn1?
What is the density of Bi1Li2Sn1?
How many polymorphs of Bi1Li2Sn1 are known?
What elements does Bi1Li2Sn1 contain?
Where does the data for Bi1Li2Sn1 come from?
How It Compares
As a unique ternary phase, Bi1Li2Sn1 represents a specific point in the compositional space of lithium-bismuth-tin systems. Without direct siblings in this specific classification, it serves as a critical reference point for understanding how the integration of heavy p-block elements like bismuth and tin influences the stability and electronic character of lithium-rich intermetallic frameworks.
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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