La3Sb4Au3
La3Sb4Au3 is a stable, semiconducting intermetallic compound containing lanthanum, antimony, and gold.
About La3Sb4Au3
La3Sb4Au3 is a complex intermetallic compound composed of lanthanum, antimony, and gold. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that persists under standard conditions.
This material exhibits semiconducting electronic characteristics, making it an intriguing candidate for specialized solid-state applications. Its unique composition and stability profile suggest potential utility in electronic components where specific semiconducting behavior is required.
Key Properties
Cross-validated computational properties for La3Sb4Au3, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of La3Sb4Au3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for La3Sb4Au3, 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. |
|---|---|---|---|---|---|
| — | — | 0.77 | 0.0000 | -0.966 | — |
| I-43d (No. 220) | cubic | 0.60 | 0.0000 | -0.987 | — |
| I-43d (No. 220) | cubic | 0.57 | 0.0000 | -5.074 | 9.35 |
| I-43d (No. 220) | cubic | — | — | — | 9.50 |
| I-43d (No. 220) | cubic | — | — | — | 9.37 |
| I-43d (No. 220) | cubic | — | — | — | 9.22 |
Applications
Where La3Sb4Au3 is used.
Frequently Asked Questions
Common questions about La3Sb4Au3, answered from cross-validated data.
What is La3Sb4Au3?
La3Sb4Au3 is a stable, semiconducting intermetallic compound containing lanthanum, antimony, and gold.
What is La3Sb4Au3 used for?
What is the band gap of La3Sb4Au3?
Is La3Sb4Au3 a metal, semiconductor, or insulator?
Is La3Sb4Au3 thermodynamically stable?
What is the crystal structure of La3Sb4Au3?
How many polymorphs of La3Sb4Au3 are known?
What elements does La3Sb4Au3 contain?
Where does the data for La3Sb4Au3 come from?
How It Compares
As a distinct intermetallic phase, La3Sb4Au3 occupies a unique position in materials science, serving as a stable building block for complex ternary systems. Without direct structural analogs in this specific class, it stands as a primary subject for investigating the interplay between heavy rare-earth elements and noble metals in semiconducting frameworks.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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