BaSrTl2
BaSrTl2 is a thermodynamically stable semiconducting intermetallic compound formed from barium, strontium, and thallium.
About BaSrTl2
BaSrTl2 is a distinct intermetallic compound composed of barium, strontium, and thallium. It is recognized for its thermodynamic stability, sitting directly on the convex hull, which indicates a robust structural configuration under standard conditions.
As a semiconducting material, this compound represents an interesting case for solid-state research. Its existence across multiple reported structures suggests a complex phase landscape that is highly relevant for fundamental studies in materials science and electronic behavior.
Key Properties
Cross-validated computational properties for BaSrTl2, aggregated across 3 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 BaSrTl2, 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 | 0.00 | 0.0000 | -2.502 | 7.17 |
| Immm (No. 71) | orthorhombic | 0.42 | 1.5530 | -0.949 | 0.57 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| — | — | — | — | — | 7.06 |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where BaSrTl2 is used.
Frequently Asked Questions
Common questions about BaSrTl2, answered from cross-validated data.
What is BaSrTl2?
BaSrTl2 is a thermodynamically stable semiconducting intermetallic compound formed from barium, strontium, and thallium.
What is BaSrTl2 used for?
What is the band gap of BaSrTl2?
Is BaSrTl2 a metal, semiconductor, or insulator?
Is BaSrTl2 thermodynamically stable?
What is the crystal structure of BaSrTl2?
What is the density of BaSrTl2?
How many polymorphs of BaSrTl2 are known?
What elements does BaSrTl2 contain?
Where does the data for BaSrTl2 come from?
How It Compares
As a unique ternary intermetallic, BaSrTl2 serves as a foundational example of how alkaline earth metals can be combined with post-transition elements to achieve stable semiconducting phases, providing a benchmark for future investigations into similar ternary systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze BaSrTl2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →