In3Ni2

In3Ni2 is a stable metallic compound formed from indium and nickel that is frequently documented in materials science databases.

InNi
Crystal structure of In3Ni2 (trigonal, P-3m1 (No. 164))
Ground-state structure · Materials Project
Overview

About In3Ni2

In3Ni2 is a metallic intermetallic compound composed of indium and nickel. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within the indium-nickel binary system. Its metallic character suggests high electrical conductivity, typical of transition metal-post transition metal alloys.

This compound is of significant interest to materials scientists studying phase stability and alloy design. Its existence as a well-defined, stable structure across multiple databases highlights its importance as a benchmark for computational and experimental studies in metallurgy.

At a glance

Key Properties

Cross-validated computational properties for In3Ni2, aggregated across 5 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
4 DFT sources

Structures

17
5 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for In3Ni2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-3m1 (No. 164)trigonal0.000.0000-18.5518.69
P-3m1 (No. 164)
P-3m1 (No. 164)Trigonal8.70
P-3m1 (No. 164)Trigonal8.42
P-3m1 (No. 164)
P-3m1 (No. 164)
P-3m1 (No. 164)
P-3m1 (No. 164)
P-3m1 (No. 164)
P-3m1 (No. 164)
P-3m1 (No. 164)Trigonal8.88
R-3m (No. 166)
Uses

Applications

Where In3Ni2 is used.

Materials science researchAlloy design studiesPhase stability modeling
Reference

Frequently Asked Questions

Common questions about In3Ni2, answered from cross-validated data.

What is In3Ni2?

In3Ni2 is a stable metallic compound formed from indium and nickel that is frequently documented in materials science databases.

More questions
What is In3Ni2 used for?
In3Ni2 is used in materials science research, alloy design studies, and phase stability modeling.
What is the band gap of In3Ni2?
In3Ni2 is computed to be metallic (no band gap) in the reported DFT structures.
Is In3Ni2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is In3Ni2 thermodynamically stable?
Yes — In3Ni2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of In3Ni2?
The lowest-energy reported polymorph of In3Ni2 is trigonal symmetry, space group P-3m1 (No. 164).
What is the density of In3Ni2?
The computed density of the ground-state structure of In3Ni2 is 8.69 g/cm³.
How many polymorphs of In3Ni2 are known?
17 structures of In3Ni2 are reported across 5 databases, spanning 3 distinct space groups.
What elements does In3Ni2 contain?
In3Ni2 contains In and Ni (2 elements).
Where does the data for In3Ni2 come from?
In3Ni2 data is cross-referenced from materials_project, aflow, mpaloe, nomad, jarvis.
Comparison

How It Compares

As a stable intermetallic phase, In3Ni2 serves as a foundational reference point for understanding the complex bonding and structural evolution within indium-nickel systems.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • 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).

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