HgMgSr2
HgMgSr2 is a semiconducting ternary intermetallic compound consisting of mercury, magnesium, and strontium that exists as a metastable phase.
About HgMgSr2
HgMgSr2 is a complex ternary intermetallic compound composed of mercury, magnesium, and strontium. It exhibits semiconducting electronic behavior, marking it as a subject of interest for researchers investigating the interplay of heavy metal and alkaline earth elements in crystalline lattices. The material is characterized by its position above the thermodynamic hull, suggesting it is a metastable phase. Its existence across multiple structural databases highlights its role in fundamental solid-state chemistry research where structural diversity is a primary focus.
Key Properties
Cross-validated computational properties for HgMgSr2, 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 HgMgSr2, 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 | 0.46 | 1.3350 | -0.302 | 0.39 |
| — | — | — | — | — | 4.88 |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where HgMgSr2 is used.
Frequently Asked Questions
Common questions about HgMgSr2, answered from cross-validated data.
What is HgMgSr2?
HgMgSr2 is a semiconducting ternary intermetallic compound consisting of mercury, magnesium, and strontium that exists as a metastable phase.
What is HgMgSr2 used for?
What is the band gap of HgMgSr2?
Is HgMgSr2 a metal, semiconductor, or insulator?
Is HgMgSr2 thermodynamically stable?
What is the crystal structure of HgMgSr2?
What is the density of HgMgSr2?
How many polymorphs of HgMgSr2 are known?
What elements does HgMgSr2 contain?
Where does the data for HgMgSr2 come from?
How It Compares
As a ternary intermetallic phase, HgMgSr2 serves as a specialized case study within the broader landscape of mercury-based compounds. Unlike more common, thermodynamically stable alloys, this material represents a challenging synthetic target that provides insight into the limits of structural formation for these specific elemental combinations.
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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