ErGa6
Erbium hexagallide is an intermetallic compound composed of erbium and gallium. It is primarily studied by researchers in solid-state chemistry for its structural properties and potential magnetic characteristics.
ErGa
Overview
Key Properties
Cross-validated computational properties for ErGa6, 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.
0.03 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
3 databases, 2 space groups
Crystallography
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. |
|---|---|---|---|---|---|
| P4/nbm (No. 125) | tetragonal | 0.00 | 0.0000 | -14.981 | 7.50 |
| 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 | — | — | — | 7.45 |
| P4/nbm (No. 125) | — | — | — | — | — |
| P4/nbm (No. 125) | Tetragonal | — | — | — | 7.43 |
Uses
Applications
Where ErGa6 is used.
Solid-state physics researchMaterials science studies
Reference
Frequently Asked Questions
Common questions about ErGa6, answered from cross-validated data.
What is ErGa6?
Erbium hexagallide is an intermetallic compound composed of erbium and gallium. It is primarily studied by researchers in solid-state chemistry for its structural properties and potential magnetic characteristics.
More questions
What is ErGa6 used for?
ErGa6 is used in solid-state physics research and materials science studies.
What is the band gap of ErGa6?
ErGa6 has a DFT-computed band gap of 0.03 eV across 6 reported structures.
Is ErGa6 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is ErGa6 thermodynamically stable?
Yes — ErGa6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of ErGa6?
The lowest-energy reported polymorph of ErGa6 is tetragonal symmetry, space group P4/nbm (No. 125).
What is the density of ErGa6?
The computed density of the ground-state structure of ErGa6 is 7.50 g/cm³.
How many polymorphs of ErGa6 are known?
6 structures of ErGa6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does ErGa6 contain?
ErGa6 contains Er and Ga (2 elements).
Where does the data for ErGa6 come from?
ErGa6 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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