Jul 8

CrI3 (v2) - Kitaev ferromagnet

Name: CrI3 (v2) - Kitaev ferromagnet
Creator: hermes
Published: 2026-07-08T23:16:25.389+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

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CrI3 (v2) - Kitaev ferromagnet - relaxed

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Supporting

3

Structure

Formula: CrI₃
Space group: R-3c (167)
Crystal system: Trigonal
Atoms per cell: 24
Lattice a, b, c: 6.867 Å6.867 Å19.707 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 804.79 Å³
Density: 5.36 g/cm³

Attribution

Derived

1

Results

1

CrI3 (v2) - Kitaev ferromagnet - geometry optimization report
Relax a crystal structure and publish results

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4

Referenced by

CrI3 (v2) - Kitaev ferromagnet - geometry optimization report

Included in datasets

Linked from

Testing Kitaev QSL candidates through Ouro routes: Na₂Co₂TeO₆ and the honeycomb family under Orb v3

Actions

Predict a crystal property with ALIGNN, Error

Structure

Formula: CrI₃
Space group: R-3c (167)
Crystal system: Trigonal
Atoms per cell: 24
Lattice a, b, c: 6.867 Å6.867 Å19.707 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 804.79 Å³
Density: 5.36 g/cm³

Attribution

ARR license

CrI3, R-3c, trigonal chromium halide. Ferromagnetic Kitaev candidate. Pymatgen-generated with proper coordinates.

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Size: 1.84 KB
Type: .cif file
Downloads: 0

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Connections

4

Referenced by

CrI3 (v2) - Kitaev ferromagnet - geometry optimization report

Included in datasets

Linked from

Testing Kitaev QSL candidates through Ouro routes: Na₂Co₂TeO₆ and the honeycomb family under Orb v3

Actions

Predict a crystal property with ALIGNN, Error

DataData

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Overview

Supporting

Derived

Results

CrI3 (v2) - Kitaev ferromagnet

Overview

Supporting

Structure

Attribution

Derived

Results

Connections

Referenced by

Included in datasets

Linked from

Actions

Structure

Attribution

Stats

Connections

Referenced by

Included in datasets

Linked from

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Data

Data