Au1Ba2Bi1
This compound is a ternary intermetallic material composed of gold, barium, and bismuth. It is primarily studied in condensed matter physics research for its unique electronic properties and behavior at low temperatures.
AuBaBi
Overview
Key Properties
Cross-validated computational properties for Au1Ba2Bi1, 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.
0.42 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
27
2 databases, 14 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Au1Ba2Bi1, 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 | 0.42 | 0.0000 | -3.616 | 7.65 |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
Uses
Applications
Where Au1Ba2Bi1 is used.
Superconductivity researchSolid-state physics studies
Reference
Frequently Asked Questions
Common questions about Au1Ba2Bi1, answered from cross-validated data.
What is Au1Ba2Bi1?
This compound is a ternary intermetallic material composed of gold, barium, and bismuth. It is primarily studied in condensed matter physics research for its unique electronic properties and behavior at low temperatures.
More questions
What is Au1Ba2Bi1 used for?
Au1Ba2Bi1 is used in superconductivity research and solid-state physics studies.
What is the band gap of Au1Ba2Bi1?
Au1Ba2Bi1 has a DFT-computed band gap of 0.42 eV across 27 reported structures.
Is Au1Ba2Bi1 a metal, semiconductor, or insulator?
With a band gap up to 0.42 eV it is a semiconductor.
Is Au1Ba2Bi1 thermodynamically stable?
Yes — Au1Ba2Bi1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Au1Ba2Bi1?
The lowest-energy reported polymorph of Au1Ba2Bi1 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Au1Ba2Bi1?
The computed density of the ground-state structure of Au1Ba2Bi1 is 7.65 g/cm³.
How many polymorphs of Au1Ba2Bi1 are known?
27 structures of Au1Ba2Bi1 are reported across 2 databases, spanning 14 distinct space groups.
What elements does Au1Ba2Bi1 contain?
Au1Ba2Bi1 contains Au, Ba, and Bi (3 elements).
Where does the data for Au1Ba2Bi1 come from?
Au1Ba2Bi1 data is cross-referenced from materials_project, aflow.
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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