Ba2Hg1Mg1
Ba2Hg1Mg1 is a complex, semimetallic ternary intermetallic compound containing barium, mercury, and magnesium.
About Ba2Hg1Mg1
Ba2Hg1Mg1 is a ternary intermetallic compound composed of barium, mercury, and magnesium. Its electronic structure exhibits near-zero-gap characteristics, placing it in the category of semimetallic materials that bridge the gap between metallic and semiconducting behavior.
Due to its position above the thermodynamic stability hull, this compound is considered a metastable phase. Its existence is supported by a significant number of reported structural configurations, highlighting its complex role in solid-state chemistry research.
Key Properties
Cross-validated computational properties for Ba2Hg1Mg1, aggregated across 2 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 Ba2Hg1Mg1, 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 | 0.07 | 1.4139 | -0.327 | 0.47 |
| F-43m (No. 216) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ba2Hg1Mg1, answered from cross-validated data.
What is Ba2Hg1Mg1?
Ba2Hg1Mg1 is a complex, semimetallic ternary intermetallic compound containing barium, mercury, and magnesium.
What is the band gap of Ba2Hg1Mg1?
Is Ba2Hg1Mg1 a metal, semiconductor, or insulator?
Is Ba2Hg1Mg1 thermodynamically stable?
What is the crystal structure of Ba2Hg1Mg1?
What is the density of Ba2Hg1Mg1?
How many polymorphs of Ba2Hg1Mg1 are known?
What elements does Ba2Hg1Mg1 contain?
Where does the data for Ba2Hg1Mg1 come from?
How It Compares
As a unique ternary intermetallic, Ba2Hg1Mg1 represents a specialized case within the broader landscape of barium-based alloys, serving as a subject of study for understanding the interplay between heavy alkaline earth metals and transition elements in metastable configurations.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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