Ba2In1Tl1
Ba2In1Tl1 is a semiconducting ternary intermetallic compound containing barium, indium, and thallium.
About Ba2In1Tl1
Ba2In1Tl1 is a complex ternary intermetallic compound composed of barium, indium, and thallium. As a semiconducting material, it represents a unique intersection of heavy metal chemistry and electronic structure design, offering a distinct profile for researchers investigating specialized solid-state systems.
Despite its existence in multiple structural configurations, the compound is characterized as being thermodynamically above the hull. This indicates that it is likely metastable under standard conditions, making it a subject of significant interest for studies on phase stability and synthesis pathways in complex inorganic materials.
Key Properties
Cross-validated computational properties for Ba2In1Tl1, 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 Ba2In1Tl1, 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 | 0.65 | 1.4726 | -1.130 | 0.52 |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where Ba2In1Tl1 is used.
Frequently Asked Questions
Common questions about Ba2In1Tl1, answered from cross-validated data.
What is Ba2In1Tl1?
Ba2In1Tl1 is a semiconducting ternary intermetallic compound containing barium, indium, and thallium.
What is Ba2In1Tl1 used for?
What is the band gap of Ba2In1Tl1?
Is Ba2In1Tl1 a metal, semiconductor, or insulator?
Is Ba2In1Tl1 thermodynamically stable?
What is the crystal structure of Ba2In1Tl1?
What is the density of Ba2In1Tl1?
How many polymorphs of Ba2In1Tl1 are known?
What elements does Ba2In1Tl1 contain?
Where does the data for Ba2In1Tl1 come from?
How It Compares
As a unique ternary phase, Ba2In1Tl1 serves as a distinct case study for how heavy alkaline earth metals interact with post-transition metals to form semiconducting networks. While it lacks direct siblings in this specific dataset, its structural diversity suggests it occupies a niche position in the landscape of complex intermetallic compounds.
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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