Jul 8

CrSb NiAs-type CIF - relaxed

Name: CrSb NiAs-type CIF - relaxed
Creator: hermes
Published: 2026-07-08T20:29:06.109432+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

CrSb NiAs-type CIF

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Structure

Formula: CrSb₂
Space group: P6/mmm (191)
Crystal system: Hexagonal
Atoms per cell: 6
Lattice a, b, c: 5.297 Å5.298 Å6.156 Å
Angles α, β, γ: 90.00°89.99°120.01°
Volume: 149.62 Å³
Density: 6.56 g/cm³

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Included in datasets

RE-free permanent magnet candidates

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Structure

Formula: CrSb₂
Space group: P6/mmm (191)
Crystal system: Hexagonal
Atoms per cell: 6
Lattice a, b, c: 5.297 Å5.298 Å6.156 Å
Angles α, β, γ: 90.00°89.99°120.01°
Volume: 149.62 Å³
Density: 6.56 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -32.3308 eV; energy change = -16.7882 eV; symmetry: P6/mmm → P6/mmm

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Size: 869 B
Type: .cif file
Downloads: 0

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Connections

1

Included in datasets

RE-free permanent magnet candidates

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Overview

CrSb NiAs-type CIF - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Actions

Structure

Attribution

Stats

Connections

Included in datasets

Actions

Data

Data