Ag1Ba2Bi1
Ag1Ba2Bi1 is a semimetallic ternary intermetallic compound that is theoretically stable and structurally diverse.
About Ag1Ba2Bi1
Ag1Ba2Bi1 is a ternary intermetallic compound composed of silver, barium, and bismuth. Its electronic structure is characterized as a near-zero-gap semimetal, placing it in a unique regime where conduction properties are highly sensitive to structural configuration.
Given its near-hull thermodynamic stability, this material is considered a prime candidate for experimental synthesis. With numerous structural variations reported in crystallographic databases, it represents a versatile platform for investigating complex phase behavior in bismuth-based intermetallics.
Key Properties
Cross-validated computational properties for Ag1Ba2Bi1, 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 Ag1Ba2Bi1, 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 | 0.06 | 0.0170 | -3.300 | 6.50 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Ag1Ba2Bi1 is used.
Frequently Asked Questions
Common questions about Ag1Ba2Bi1, answered from cross-validated data.
What is Ag1Ba2Bi1?
Ag1Ba2Bi1 is a semimetallic ternary intermetallic compound that is theoretically stable and structurally diverse.
What is Ag1Ba2Bi1 used for?
What is the band gap of Ag1Ba2Bi1?
Is Ag1Ba2Bi1 a metal, semiconductor, or insulator?
Is Ag1Ba2Bi1 thermodynamically stable?
What is the crystal structure of Ag1Ba2Bi1?
What is the density of Ag1Ba2Bi1?
How many polymorphs of Ag1Ba2Bi1 are known?
What elements does Ag1Ba2Bi1 contain?
Where does the data for Ag1Ba2Bi1 come from?
How It Compares
As a distinct ternary phase, Ag1Ba2Bi1 occupies a specialized niche within intermetallic systems, serving as a foundational example of how silver and barium can stabilize bismuth-rich frameworks in a semimetallic state.
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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