BaSr3
BaSr3 is a metallic intermetallic compound formed from barium and strontium that is considered a viable candidate for experimental synthesis.
About BaSr3
BaSr3 is a metallic intermetallic compound composed of barium and strontium. Its electronic character is defined by its metallic nature, lacking a band gap, which makes it an interesting subject for studies in fundamental condensed matter physics and alloy behavior.
As a near-hull material, it is considered likely to be synthesizable under specific experimental conditions. With numerous reported structures across various databases, it stands as a well-documented candidate for researchers investigating the complex phase space of alkaline earth metal alloys.
Key Properties
Cross-validated computational properties for BaSr3, aggregated across 5 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 BaSr3, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0123 | -1.740 | 2.80 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0154 | -1.737 | 2.87 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0254 | -1.727 | 2.81 |
| Fm-3m (No. 225) | Cubic | — | — | — | 2.91 |
| I4/mmm (No. 139) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 2.79 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 2.83 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 2.88 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 2.72 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 2.83 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 2.89 |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where BaSr3 is used.
Frequently Asked Questions
Common questions about BaSr3, answered from cross-validated data.
What is BaSr3?
BaSr3 is a metallic intermetallic compound formed from barium and strontium that is considered a viable candidate for experimental synthesis.
What is BaSr3 used for?
What is the band gap of BaSr3?
Is BaSr3 a metal, semiconductor, or insulator?
Is BaSr3 thermodynamically stable?
What is the crystal structure of BaSr3?
What is the density of BaSr3?
How many polymorphs of BaSr3 are known?
What elements does BaSr3 contain?
Where does the data for BaSr3 come from?
How It Compares
As a distinct intermetallic phase, BaSr3 represents a specific structural configuration within the broader landscape of barium-strontium alloys, serving as a reference point for understanding the structural diversity and stability trends of binary alkaline earth systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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