BaSr
BaSr is a metallic binary intermetallic compound composed of barium and strontium that is considered potentially synthesizable.
About BaSr
BaSr is a metallic intermetallic compound formed from the alkaline earth metals barium and strontium. Its electronic character is defined by its metallic nature, lacking a band gap, which is characteristic of its elemental constituents. The compound is considered to be near the thermodynamic hull, suggesting that it is a viable candidate for synthesis. With a significant number of reported structures across multiple databases, it represents an interesting subject for studies in binary metal systems.
Key Properties
Cross-validated computational properties for BaSr, 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 BaSr, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0064 | -1.802 | 3.10 |
| R-3m (No. 166) | — | — | — | — | — |
| Pmma (No. 51) | Orthorhombic | — | — | — | 2.64 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 1.62 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 1.40 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.11 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.02 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.50 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.15 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.06 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.97 |
| Pm-3m (No. 221) | — | — | — | — | — |
Frequently Asked Questions
Common questions about BaSr, answered from cross-validated data.
What is BaSr?
BaSr is a metallic binary intermetallic compound composed of barium and strontium that is considered potentially synthesizable.
What is the band gap of BaSr?
Is BaSr a metal, semiconductor, or insulator?
Is BaSr thermodynamically stable?
What is the crystal structure of BaSr?
What is the density of BaSr?
How many polymorphs of BaSr are known?
What elements does BaSr contain?
Where does the data for BaSr come from?
How It Compares
As a binary intermetallic compound, BaSr serves as a fundamental example of how heavy alkaline earth metals interact to form stable metallic phases. Without direct siblings in this specific class, it stands as a baseline for understanding the structural diversity and bonding behavior of barium-strontium alloys.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- mpaloe — Data from mpaloe.
- 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).
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