Ba1Hg2Mg1
Ba1Hg2Mg1 is a semiconducting ternary intermetallic compound that exhibits metastable characteristics.
About Ba1Hg2Mg1
Ba1Hg2Mg1 is a complex ternary intermetallic compound characterized by its semiconducting electronic behavior. Its composition, involving alkaline earth and post-transition metals, places it in a unique structural category where electronic properties are highly sensitive to atomic arrangement.
Due to its position above the thermodynamic hull, this material is considered metastable, which makes it a subject of interest for researchers studying phase stability and synthesis pathways. Its existence across multiple reported structures highlights the diverse ways these elements can organize at the atomic scale.
Key Properties
Cross-validated computational properties for Ba1Hg2Mg1, 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 Ba1Hg2Mg1, 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 | 0.15 | 1.1371 | -0.294 | 0.55 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ba1Hg2Mg1, answered from cross-validated data.
What is Ba1Hg2Mg1?
Ba1Hg2Mg1 is a semiconducting ternary intermetallic compound that exhibits metastable characteristics.
What is the band gap of Ba1Hg2Mg1?
Is Ba1Hg2Mg1 a metal, semiconductor, or insulator?
Is Ba1Hg2Mg1 thermodynamically stable?
What is the crystal structure of Ba1Hg2Mg1?
What is the density of Ba1Hg2Mg1?
How many polymorphs of Ba1Hg2Mg1 are known?
What elements does Ba1Hg2Mg1 contain?
Where does the data for Ba1Hg2Mg1 come from?
How It Compares
As a unique ternary phase, Ba1Hg2Mg1 represents a distinct structural configuration within the landscape of barium-mercury-magnesium systems, serving as a point of reference for understanding how electronic semiconducting behavior emerges in complex, metastable intermetallic compounds.
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).
Analyze Ba1Hg2Mg1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →