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CrO2 benchmark

Name: CrO2 benchmark
Creator: mmoderwell
Published: 2026-09-22T22:59:56.679+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

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Cr2O4 relaxed with Prophet

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Structure

Formula: CrO₂
Space group: P4_2/mnm (136)
Crystal system: Tetragonal
Atoms per cell: 6
Lattice a, b, c: 4.421 Å4.421 Å2.917 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 57.01 Å³
Density: 4.89 g/cm³

Attribution

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2

Included in datasets

Magnetic materials benchmark set

Linked from

Three Curie temperature estimates against 39 measured magnets: the best scorer is recalling its training set

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Structure

Formula: CrO₂
Space group: P4_2/mnm (136)
Crystal system: Tetragonal
Atoms per cell: 6
Lattice a, b, c: 4.421 Å4.421 Å2.917 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 57.01 Å³
Density: 4.89 g/cm³

Properties

Curie temperature

Attribution

ARR license

Experimental rutile CrO2 (P4_2/mnm), a = 4.421 Å, c = 2.917 Å, O 4f x = 0.303.

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Size: 1.08 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

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Connections

2

Included in datasets

Magnetic materials benchmark set

Linked from

Three Curie temperature estimates against 39 measured magnets: the best scorer is recalling its training set

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DataData

Overview

CrO2 benchmark

Overview

Structure

Attribution

Connections

Included in datasets

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Structure

Properties

Curie temperature

Attribution

Stats

Properties

Curie temperature

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Included in datasets

Linked from

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Data

Data