BaHg2Sr
BaHg2Sr is a semimetallic ternary intermetallic compound composed of barium, mercury, and strontium that is potentially synthesizable.
About BaHg2Sr
BaHg2Sr is a complex ternary intermetallic compound composed of barium, mercury, and strontium. As a semimetallic material with a near-zero electronic gap, it occupies a unique position in solid-state physics where electronic properties are highly sensitive to structural configuration.
The compound is considered near-hull in terms of thermodynamic stability, indicating that it is a viable candidate for experimental synthesis. With multiple reported structures across major databases, it serves as an important subject for studying the interplay between heavy alkaline earth metals and mercury in crystalline lattices.
Key Properties
Cross-validated computational properties for BaHg2Sr, 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 BaHg2Sr, 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 | 0.0163 | -1.569 | 7.67 |
| Immm (No. 71) | orthorhombic | 0.01 | 1.3110 | -0.275 | 0.61 |
| — | — | — | — | — | 6.46 |
| — | — | — | — | — | 6.42 |
| — | — | — | — | — | 6.42 |
| — | — | — | — | — | 7.46 |
| F-43m (No. 216) | — | — | — | — | — |
Applications
Where BaHg2Sr is used.
Frequently Asked Questions
Common questions about BaHg2Sr, answered from cross-validated data.
What is BaHg2Sr?
BaHg2Sr is a semimetallic ternary intermetallic compound composed of barium, mercury, and strontium that is potentially synthesizable.
What is BaHg2Sr used for?
What is the band gap of BaHg2Sr?
Is BaHg2Sr a metal, semiconductor, or insulator?
Is BaHg2Sr thermodynamically stable?
What is the crystal structure of BaHg2Sr?
What is the density of BaHg2Sr?
How many polymorphs of BaHg2Sr are known?
What elements does BaHg2Sr contain?
Where does the data for BaHg2Sr come from?
How It Compares
As an unclassified ternary intermetallic, BaHg2Sr represents a specialized case of heavy-metal alloy systems. Without direct structural siblings, it serves as a foundational example of how combining large-radius alkaline earth elements with mercury can produce stable, semimetallic phases that challenge standard bonding models.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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