Au1Bi1Na2
Au1Bi1Na2 is a stable, semiconducting ternary compound containing gold, bismuth, and sodium.
About Au1Bi1Na2
Au1Bi1Na2 is a distinct ternary compound composed of gold, bismuth, and sodium. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions.
This material exhibits semiconducting electronic character, making it an interesting candidate for specialized electronic and optoelectronic research. Its existence as a well-defined phase within the broader landscape of intermetallic compounds highlights the complex bonding interactions possible between alkali metals and heavy transition or post-transition elements.
Key Properties
Cross-validated computational properties for Au1Bi1Na2, 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 Au1Bi1Na2, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.31 | 0.0000 | -29.499 | 6.97 |
| P2/m (No. 10) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
Applications
Where Au1Bi1Na2 is used.
Frequently Asked Questions
Common questions about Au1Bi1Na2, answered from cross-validated data.
What is Au1Bi1Na2?
Au1Bi1Na2 is a stable, semiconducting ternary compound containing gold, bismuth, and sodium.
What is Au1Bi1Na2 used for?
What is the band gap of Au1Bi1Na2?
Is Au1Bi1Na2 a metal, semiconductor, or insulator?
Is Au1Bi1Na2 thermodynamically stable?
What is the crystal structure of Au1Bi1Na2?
What is the density of Au1Bi1Na2?
How many polymorphs of Au1Bi1Na2 are known?
What elements does Au1Bi1Na2 contain?
Where does the data for Au1Bi1Na2 come from?
How It Compares
As a unique ternary phase, Au1Bi1Na2 represents a specific stoichiometric arrangement that occupies a stable position in chemical space, serving as a foundational example of how gold, bismuth, and sodium can integrate into a singular, ordered crystalline framework.
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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