AuBiSr2
AuBiSr2 is a metastable semiconducting ternary compound consisting of gold, bismuth, and strontium.
About AuBiSr2
AuBiSr2 is a complex ternary compound composed of gold, bismuth, and strontium. As a semiconducting material, it occupies a specific niche in solid-state chemistry where the interplay between heavy elements and alkaline earth metals influences its electronic behavior.
This compound is characterized by its metastable nature, which makes it a subject of interest for researchers investigating phase stability and synthesis pathways. Its existence across multiple crystallographic structures highlights the structural diversity possible within this specific elemental combination.
Key Properties
Cross-validated computational properties for AuBiSr2, aggregated across 3 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 AuBiSr2, 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 | 0.39 | 0.0368 | -35.800 | 7.59 |
| Immm (No. 71) | — | — | — | — | — |
| — | — | — | — | — | 7.52 |
Frequently Asked Questions
Common questions about AuBiSr2, answered from cross-validated data.
What is AuBiSr2?
AuBiSr2 is a metastable semiconducting ternary compound consisting of gold, bismuth, and strontium.
What is the band gap of AuBiSr2?
Is AuBiSr2 a metal, semiconductor, or insulator?
Is AuBiSr2 thermodynamically stable?
What is the crystal structure of AuBiSr2?
What is the density of AuBiSr2?
How many polymorphs of AuBiSr2 are known?
What elements does AuBiSr2 contain?
Where does the data for AuBiSr2 come from?
How It Compares
As a unique ternary phase, AuBiSr2 stands as a distinct example of how gold and bismuth can be integrated with strontium to form a semiconducting framework, serving as a reference point for future studies into similar metastable intermetallic systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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