Bi1Hg2Na1
Bi1Hg2Na1 is a semiconducting ternary compound of bismuth, mercury, and sodium that exists as a metastable phase.
About Bi1Hg2Na1
Bi1Hg2Na1 is a ternary intermetallic compound composed of bismuth, mercury, and sodium. It exhibits semiconducting electronic behavior, marking it as a material of interest for specialized electronic or optoelectronic research applications.
Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Its existence in structural databases highlights the complexity of ternary phase spaces involving heavy metals and alkali elements.
Key Properties
Cross-validated computational properties for Bi1Hg2Na1, 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 Bi1Hg2Na1, 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 | 0.14 | 0.7378 | -39.668 | 0.81 |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
Applications
Where Bi1Hg2Na1 is used.
Frequently Asked Questions
Common questions about Bi1Hg2Na1, answered from cross-validated data.
What is Bi1Hg2Na1?
Bi1Hg2Na1 is a semiconducting ternary compound of bismuth, mercury, and sodium that exists as a metastable phase.
What is Bi1Hg2Na1 used for?
What is the band gap of Bi1Hg2Na1?
Is Bi1Hg2Na1 a metal, semiconductor, or insulator?
Is Bi1Hg2Na1 thermodynamically stable?
What is the crystal structure of Bi1Hg2Na1?
What is the density of Bi1Hg2Na1?
How many polymorphs of Bi1Hg2Na1 are known?
What elements does Bi1Hg2Na1 contain?
Where does the data for Bi1Hg2Na1 come from?
How It Compares
As a unique ternary phase, Bi1Hg2Na1 represents an exploratory composition within the broader landscape of complex metal alloys. Unlike more common, highly stable binary intermetallics, this compound serves as a case study in the synthesis of metastable phases that require precise control over chemical potentials to stabilize.
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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