HoSnAu
HoSnAu is a stable, semimetallic intermetallic compound composed of holmium, tin, and gold.
About HoSnAu
HoSnAu is a distinct intermetallic compound characterized by its semimetallic electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of holmium, tin, and gold atoms that maintains structural integrity under standard conditions. The material is notable for its structural diversity, having been identified in multiple distinct arrangements within crystallographic databases. This versatility makes it a subject of interest for researchers investigating the complex interplay between rare-earth magnetism and metallic bonding in ternary systems.
Key Properties
Cross-validated computational properties for HoSnAu, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of HoSnAu. 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 HoSnAu, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.07 | 0.0000 | -0.869 | — |
| F-43m (No. 216) | cubic | 0.02 | 0.0000 | -4.806 | 10.80 |
| — | — | 0.25 | 0.0006 | -0.885 | — |
| — | — | 0.00 | 0.0431 | -0.842 | — |
| — | — | 0.00 | 0.0431 | -0.842 | — |
| P63mc (No. 186) | hexagonal | 0.00 | 0.0432 | -4.763 | 11.79 |
| P63mc (No. 186) | hexagonal | 0.00 | 0.0479 | -0.821 | — |
| P63mc (No. 186) | hexagonal | 0.00 | 0.0480 | -0.821 | — |
| — | — | 0.00 | 0.1184 | -0.767 | — |
| — | — | 0.00 | 0.1199 | -0.765 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1442 | -4.662 | 11.20 |
| — | — | 0.00 | 0.1444 | -0.741 | — |
Applications
Where HoSnAu is used.
Frequently Asked Questions
Common questions about HoSnAu, answered from cross-validated data.
What is HoSnAu?
HoSnAu is a stable, semimetallic intermetallic compound composed of holmium, tin, and gold.
What is HoSnAu used for?
What is the band gap of HoSnAu?
Is HoSnAu a metal, semiconductor, or insulator?
Is HoSnAu thermodynamically stable?
What is the crystal structure of HoSnAu?
How many polymorphs of HoSnAu are known?
What elements does HoSnAu contain?
Where does the data for HoSnAu come from?
How It Compares
As a unique ternary intermetallic, HoSnAu serves as an important reference point for understanding the behavior of rare-earth-based compounds that exhibit near-zero-gap electronic characteristics. Without direct structural siblings in this specific class, it stands as a standalone example of how specific stoichiometry can stabilize complex metallic lattices.
Data sources & attribution
- 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)
- 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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