Ba2In1Li1
Ba2In1Li1 is a semimetallic ternary intermetallic compound consisting of barium, indium, and lithium.
About Ba2In1Li1
Ba2In1Li1 is a complex ternary intermetallic compound composed of barium, indium, and lithium. Its electronic character is defined as near-zero-gap, placing it in the semimetallic regime where charge carriers exhibit high mobility.
Despite its structural complexity, the compound is found to be thermodynamically unstable, residing above the energy hull. This suggests that while it can be synthesized in specific laboratory conditions, it remains a metastable phase that requires careful processing to preserve its structural integrity.
Key Properties
Cross-validated computational properties for Ba2In1Li1, 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 Ba2In1Li1, 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 | 0.02 | 1.4162 | -0.949 | 0.39 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ba2In1Li1, answered from cross-validated data.
What is Ba2In1Li1?
Ba2In1Li1 is a semimetallic ternary intermetallic compound consisting of barium, indium, and lithium.
What is the band gap of Ba2In1Li1?
Is Ba2In1Li1 a metal, semiconductor, or insulator?
Is Ba2In1Li1 thermodynamically stable?
What is the crystal structure of Ba2In1Li1?
What is the density of Ba2In1Li1?
How many polymorphs of Ba2In1Li1 are known?
What elements does Ba2In1Li1 contain?
Where does the data for Ba2In1Li1 come from?
How It Compares
As a unique ternary intermetallic phase, Ba2In1Li1 represents a specialized composition within the broader landscape of alkali-earth and post-transition metal alloys. Without direct structural siblings in this specific class, it serves as a distinct example of how combining heavy alkaline-earth elements with indium and lithium can yield semimetallic behavior despite thermodynamic challenges.
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).
Analyze Ba2In1Li1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →