Ga3Ir
Gallium iridium is an intermetallic compound composed of gallium and iridium. It is primarily studied in materials science for its unique structural properties and its behavior as a superconducting material.
Overview
Key Properties
Cross-validated computational properties for Ga3Ir, aggregated across 5 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.
Metallic / not reported
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.
0.023 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.
Near hull (likely stable)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
5 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ga3Ir, 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. |
|---|---|---|---|---|---|
| P42/mnm (No. 136) | tetragonal | 0.00 | 0.0228 | -22.061 | 9.48 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P42/mnm (No. 136) | Tetragonal | — | — | — | 9.14 |
| P42/mnm (No. 136) | Tetragonal | — | — | — | 9.70 |
| P42/mnm (No. 136) | Tetragonal | — | — | — | 9.41 |
| P2 (No. 3) | Monoclinic | — | — | — | 11.61 |
| P1 (No. 1) | Triclinic | — | — | — | 8.04 |
| P2 (No. 3) | Monoclinic | — | — | — | 9.72 |
| — | — | — | — | — | 10.05 |
| P42/mnm (No. 136) | — | — | — | — | — |
| P42/mnm (No. 136) | — | — | — | — | — |
Uses
Applications
Where Ga3Ir is used.
Superconductivity researchCondensed matter physics studiesIntermetallic phase analysis
Reference
Frequently Asked Questions
Common questions about Ga3Ir, answered from cross-validated data.
What is Ga3Ir?
Gallium iridium is an intermetallic compound composed of gallium and iridium. It is primarily studied in materials science for its unique structural properties and its behavior as a superconducting material.
More questions
What is Ga3Ir used for?
Ga3Ir is used in superconductivity research, condensed matter physics studies, and intermetallic phase analysis.
What is the band gap of Ga3Ir?
Ga3Ir is computed to be metallic (no band gap) in the reported DFT structures.
Is Ga3Ir a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Ga3Ir thermodynamically stable?
Ga3Ir has a lowest energy above hull of 0.023 eV/atom (near hull (likely stable)).
What is the crystal structure of Ga3Ir?
The lowest-energy reported polymorph of Ga3Ir is tetragonal symmetry, space group P42/mnm (No. 136).
What is the density of Ga3Ir?
The computed density of the ground-state structure of Ga3Ir is 9.48 g/cm³.
How many polymorphs of Ga3Ir are known?
11 structures of Ga3Ir are reported across 5 databases, spanning 4 distinct space groups.
What elements does Ga3Ir contain?
Ga3Ir contains Ga and Ir (2 elements).
Where does the data for Ga3Ir come from?
Ga3Ir data is cross-referenced from materials_project, nomad, mpaloe, omat24, jarvis.
Explore
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
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).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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