Hg2MgSr
Hg2MgSr is a semiconducting ternary intermetallic compound that is considered thermodynamically accessible for synthesis.
About Hg2MgSr
Hg2MgSr is a ternary intermetallic compound characterized by its semiconducting electronic nature. As a near-hull material, it occupies a favorable position in the thermodynamic landscape, suggesting it is a viable candidate for experimental synthesis and characterization.
This compound is of interest to researchers investigating novel electronic materials that bridge the gap between traditional metals and insulators. Its structural data richness, supported by multiple reported configurations, makes it a compelling subject for studies into complex crystalline arrangements and property tuning.
Key Properties
Cross-validated computational properties for Hg2MgSr, 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 Hg2MgSr, 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 | 0.0051 | -1.363 | 8.21 |
| Immm (No. 71) | orthorhombic | 0.37 | 1.1076 | -0.260 | 0.53 |
| P4mm (No. 99) | — | — | — | — | — |
| — | — | — | — | — | 6.06 |
| — | — | — | — | — | 7.85 |
Applications
Where Hg2MgSr is used.
Frequently Asked Questions
Common questions about Hg2MgSr, answered from cross-validated data.
What is Hg2MgSr?
Hg2MgSr is a semiconducting ternary intermetallic compound that is considered thermodynamically accessible for synthesis.
What is Hg2MgSr used for?
What is the band gap of Hg2MgSr?
Is Hg2MgSr a metal, semiconductor, or insulator?
Is Hg2MgSr thermodynamically stable?
What is the crystal structure of Hg2MgSr?
What is the density of Hg2MgSr?
How many polymorphs of Hg2MgSr are known?
What elements does Hg2MgSr contain?
Where does the data for Hg2MgSr come from?
How It Compares
As a unique ternary phase, Hg2MgSr represents an intriguing addition to the landscape of mercury-based intermetallics, serving as a distinct example of how alkaline earth and transition metal combinations can yield semiconducting behavior.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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