Bi1Hg1In2
Bi1Hg1In2 is a semimetallic ternary intermetallic compound composed of bismuth, mercury, and indium that exists in a metastable state.
About Bi1Hg1In2
Bi1Hg1In2 is a complex ternary intermetallic compound composed of bismuth, mercury, and indium. It exhibits a near-zero-gap electronic character, placing it in the category of semimetallic materials that often demonstrate unique charge transport properties.
Due to its position above the thermodynamic hull, this compound is considered metastable. Its structural diversity is highlighted by the significant number of reported configurations, making it a subject of interest for fundamental studies in phase stability and solid-state chemistry.
Key Properties
Cross-validated computational properties for Bi1Hg1In2, 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 Bi1Hg1In2, 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 | 0.02 | 0.7649 | -37.533 | 0.85 |
| Pmm2 (No. 25) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Bi1Hg1In2, answered from cross-validated data.
What is Bi1Hg1In2?
Bi1Hg1In2 is a semimetallic ternary intermetallic compound composed of bismuth, mercury, and indium that exists in a metastable state.
What is the band gap of Bi1Hg1In2?
Is Bi1Hg1In2 a metal, semiconductor, or insulator?
Is Bi1Hg1In2 thermodynamically stable?
What is the crystal structure of Bi1Hg1In2?
What is the density of Bi1Hg1In2?
How many polymorphs of Bi1Hg1In2 are known?
What elements does Bi1Hg1In2 contain?
Where does the data for Bi1Hg1In2 come from?
How It Compares
As a ternary intermetallic, Bi1Hg1In2 represents a specialized case within the broader landscape of bismuth-mercury-indium systems. While it lacks direct structural siblings in this context, it serves as a critical data point for understanding how heavy metal combinations influence electronic behavior in near-zero-gap systems.
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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