GaNi3
Gallium nickelide is an intermetallic compound composed of gallium and nickel. It is primarily studied in materials science for its structural properties and potential roles in advanced metallurgical research.
GaNi
Overview
Key Properties
Cross-validated computational properties for GaNi3, 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.
0.000 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)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
19
5 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for GaNi3, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -12.126 | 9.23 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0173 | -12.109 | 9.20 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0335 | -12.092 | 9.23 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 9.24 |
| Pmm2 (No. 25) | — | — | — | — | — |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 9.50 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 8.97 |
| Pm-3m (No. 221) | Cubic | — | — | — | 9.50 |
| Pm-3m (No. 221) | Cubic | — | — | — | 8.94 |
| P63/mmc (No. 194) | — | — | — | — | — |
| — | — | — | — | — | 8.88 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 9.23 |
Uses
Applications
Where GaNi3 is used.
Materials science researchAlloy developmentSolid-state physics studies
Reference
Frequently Asked Questions
Common questions about GaNi3, answered from cross-validated data.
What is GaNi3?
Gallium nickelide is an intermetallic compound composed of gallium and nickel. It is primarily studied in materials science for its structural properties and potential roles in advanced metallurgical research.
What is GaNi3 used for?
GaNi3 is used in materials science research, alloy development, and solid-state physics studies.
What is the band gap of GaNi3?
GaNi3 is computed to be metallic (no band gap) in the reported DFT structures.
Is GaNi3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is GaNi3 thermodynamically stable?
Yes — GaNi3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of GaNi3?
The lowest-energy reported polymorph of GaNi3 is cubic symmetry, space group Pm-3m (No. 221).
What is the density of GaNi3?
The computed density of the ground-state structure of GaNi3 is 9.23 g/cm³.
How many polymorphs of GaNi3 are known?
19 structures of GaNi3 are reported across 5 databases, spanning 4 distinct space groups.
What elements does GaNi3 contain?
GaNi3 contains Ga and Ni (2 elements).
Where does the data for GaNi3 come from?
GaNi3 data is cross-referenced from materials_project, mpaloe, nomad, jarvis, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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