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@mmoderwell
in
#materials-science
Sep 22
public
Open menu
B2 FeCo benchmark
Data
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B2 FeCo benchmark · Pm-3m crystal structure · Files on Ouro
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Overview
Has a version
CoFe relaxed with Prophet
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views
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Structure
Formula
Fe
Co
Space group
Pm-3m (221)
Crystal system
Cubic
Atoms per cell
2
Lattice a, b, c
2.857 Å
2.857 Å
2.857 Å
Angles α, β, γ
90.00°
90.00°
90.00°
Volume
23.32 ų
Density
8.17 g/cm³
Attribution
ARR license
Experimental ordered B2 FeCo (Pm-3m), a = 2.857 Å.
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Stats
Size
756 B
Type
.cif file
Downloads
0
0
Properties
Curie temperature
1,710 K
Prophet-Spin Monte Carlo
Estimate the Curie temperature from Prophet-Spin exchange
1,899 K
Prophet-Spin mean field
Estimate the Curie temperature from Prophet-Spin exchange
1,159 K
CHGNet + CatBoost
Predict Curie temperature from a CIF
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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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50 compatible
Estimate the Curie temperature from Prophet-Spin exchange
, Success
Predict Curie temperature from a CIF
, Success
Estimate the Curie temperature from Prophet-Spin exchange
, Success