CrInNi2

CrInNi2 is a metallic Heusler alloy that exists as a metastable phase of interest for fundamental materials research.

Crystal structure of CrInNi2 (cubic, Fm-3m (No. 225))
Ground-state structure · Materials Project
Overview

About CrInNi2

CrInNi2 belongs to the versatile family of Heusler alloys, which are known for their diverse magnetic and electronic properties. As a metallic compound, it exhibits characteristic conductivity associated with its crystalline structure, though it remains a subject of intense investigation due to its complex phase behavior.

This material is notable for its presence across multiple structural databases, reflecting significant interest from the computational materials science community. Its thermodynamic profile indicates that it exists in a metastable state, posing unique challenges and opportunities for synthesis and potential functional applications in advanced alloy design.

At a glance

Key Properties

Cross-validated computational properties for CrInNi2, aggregated across 5 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.153 eV/atom
Best (lowest) across sources

Stability

Above hull
4 DFT sources

Structures

6
5 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for CrInNi2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fm-3m (No. 225)cubic0.000.1529-15.3588.45
Fm-3m (No. 225)
Fm-3m (No. 225)
8.31
Pmm2 (No. 25)
Uses

Applications

Where CrInNi2 is used.

Fundamental materials science researchComputational alloy designPhase stability studies
Reference

Frequently Asked Questions

Common questions about CrInNi2, answered from cross-validated data.

What is CrInNi2?

CrInNi2 is a metallic Heusler alloy that exists as a metastable phase of interest for fundamental materials research.

More questions
What is CrInNi2 used for?
CrInNi2 is used in fundamental materials science research, computational alloy design, and phase stability studies.
What is the band gap of CrInNi2?
CrInNi2 is computed to be metallic (no band gap) in the reported DFT structures.
Is CrInNi2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is CrInNi2 thermodynamically stable?
CrInNi2 has a lowest energy above hull of 0.153 eV/atom (above hull).
What is the crystal structure of CrInNi2?
The lowest-energy reported polymorph of CrInNi2 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of CrInNi2?
The computed density of the ground-state structure of CrInNi2 is 8.45 g/cm³.
How many polymorphs of CrInNi2 are known?
6 structures of CrInNi2 are reported across 5 databases, spanning 2 distinct space groups.
What elements does CrInNi2 contain?
CrInNi2 contains Cr, In, and Ni (3 elements).
Where does the data for CrInNi2 come from?
CrInNi2 data is cross-referenced from materials_project, jarvis, alexandria, omat24, nomad.
Comparison

How It Compares

Within the heusler alloys class.

Unlike the highly stable and frequently studied NiSnTi or Ni1Sn1Ti1, CrInNi2 is classified as being above the thermodynamic hull, suggesting it is less stable under standard conditions. While many Heusler alloys are prized for their robust phase formation, this compound represents a more exotic, metastable member of the class that requires specific processing conditions to stabilize compared to its more conventional siblings like GaMnPd2.

Explore

Related Compounds

Other Heusler Alloys in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • alexandria — Data from alexandria.
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).

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