InNi3
Indium nickelide is an intermetallic compound composed of indium and nickel. It is primarily studied in materials science for its structural properties and potential roles in specialized alloy systems.
InNi
Overview
Key Properties
Cross-validated computational properties for InNi3, 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.
0.059 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.
Metastable
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
15
5 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for InNi3, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0590 | -14.679 | 9.53 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0793 | -14.658 | 9.53 |
| R-3m (No. 166) | trigonal | 0.00 | 0.3828 | -14.355 | 8.79 |
| Pm-3m (No. 221) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 9.25 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 9.79 |
| Pm-3m (No. 221) | Cubic | — | — | — | 9.69 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 9.53 |
| Pm-3m (No. 221) | Cubic | — | — | — | 9.54 |
| — | — | — | — | — | 9.13 |
| — | — | — | — | — | 9.22 |
| Pm-3m (No. 221) | Cubic | — | — | — | 9.31 |
Uses
Applications
Where InNi3 is used.
Materials science researchAlloy developmentFundamental condensed matter physics studies
Reference
Frequently Asked Questions
Common questions about InNi3, answered from cross-validated data.
What is InNi3?
Indium nickelide is an intermetallic compound composed of indium and nickel. It is primarily studied in materials science for its structural properties and potential roles in specialized alloy systems.
More questions
What is InNi3 used for?
InNi3 is used in materials science research, alloy development, and fundamental condensed matter physics studies.
What is the band gap of InNi3?
InNi3 is computed to be metallic (no band gap) in the reported DFT structures.
Is InNi3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is InNi3 thermodynamically stable?
InNi3 has a lowest energy above hull of 0.059 eV/atom (metastable).
What is the crystal structure of InNi3?
The lowest-energy reported polymorph of InNi3 is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of InNi3?
The computed density of the ground-state structure of InNi3 is 9.53 g/cm³.
How many polymorphs of InNi3 are known?
15 structures of InNi3 are reported across 5 databases, spanning 4 distinct space groups.
What elements does InNi3 contain?
InNi3 contains In and Ni (2 elements).
Where does the data for InNi3 come from?
InNi3 data is cross-referenced from materials_project, nomad, mpaloe, omat24, jarvis.
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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