Sep 22

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

1010

Structure

Formula: CrO₂
Space group: P4_2/mnm (136)
Crystal system: Tetragonal
Atoms per cell: 6

Structure

Formula: CrO₂
Space group: P4_2/mnm (136)
Crystal system: Tetragonal
Atoms per cell: 6

Lattice a, b, c

4.421 Å, 4.421 Å, 2.917 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

57.01 Å³

Density

4.89 g/cm³

Attribution

Connections

3

Actions

Estimate the Curie temperature from Prophet-Spin exchangesuccess
Predict Curie temperature from a CIFsuccess
Estimate the Curie temperature from Prophet-Spin exchangesuccess

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

ARR license

10

Stats

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

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Connections

3

Derived assets

Cr2O4 relaxed with Prophet.cif

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

Actions

Estimate the Curie temperature from Prophet-Spin exchangesuccess
Predict Curie temperature from a CIFsuccess
Estimate the Curie temperature from Prophet-Spin exchangesuccess

DataData

DataData

Overview

CrO2 benchmark

Overview

Structure

Structure

Attribution

Connections

Derived assets

Included in datasets

Linked from

Actions

Stats

Connections

Derived assets

Included in datasets

Linked from

Actions

Data

Data