ErGa6
ErGa6 is a thermodynamically stable, semimetallic intermetallic compound formed from erbium and gallium.
About ErGa6
ErGa6 is a stable intermetallic compound composed of erbium and gallium. Its electronic character is defined as near-zero-gap, placing it in the category of semimetallic materials that exhibit interesting transport properties due to the overlap of valence and conduction bands.
This material is notable for its structural complexity, as evidenced by its multiple reported crystallographic configurations across various databases. Its thermodynamic stability on the convex hull suggests it is a robust phase, making it a subject of interest for fundamental studies in rare-earth metal chemistry and electronic structure research.
Key Properties
Cross-validated computational properties for ErGa6, aggregated across 4 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 ErGa6. 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 ErGa6, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0000 | -0.296 | — |
| P4/nbm (No. 125) | tetragonal | 0.00 | 0.0000 | -14.981 | 7.50 |
| P4/nbm (No. 125) | tetragonal | 0.00 | 0.0030 | -0.286 | — |
| P4/mmm (No. 123) | tetragonal | 0.03 | 1.9013 | -13.080 | 0.54 |
| P4/nbm (No. 125) | tetragonal | — | — | — | 7.18 |
| P4/nbm (No. 125) | tetragonal | — | — | — | 7.43 |
| P4/nbm (No. 125) | tetragonal | — | — | — | 7.45 |
Applications
Where ErGa6 is used.
Frequently Asked Questions
Common questions about ErGa6, answered from cross-validated data.
What is ErGa6?
ErGa6 is a thermodynamically stable, semimetallic intermetallic compound formed from erbium and gallium.
What is ErGa6 used for?
What is the band gap of ErGa6?
Is ErGa6 a metal, semiconductor, or insulator?
Is ErGa6 thermodynamically stable?
What is the crystal structure of ErGa6?
What is the density of ErGa6?
How many polymorphs of ErGa6 are known?
What elements does ErGa6 contain?
Where does the data for ErGa6 come from?
How It Compares
As a distinct member of the erbium-gallium binary system, ErGa6 represents a specific stoichiometric point within the intermetallic landscape. While it stands as a unique phase, it contributes to the broader understanding of how rare-earth elements integrate with gallium to form stable, semimetallic architectures.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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