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SmCo5 (benchmark) · P6/mmm crystal structure · Files on Ouro
@mmoderwell
in
#permanent-magnets
Jul 13
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SmCo5 (benchmark)
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Overview
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Derived
1
Results
1
SmCo5 structure analysis
Analyze a CIF and create a structure report
Structure
Formula
Sm
Co
5
Space group
P6/mmm (191)
Crystal system
Hexagonal
Atoms per cell
6
Lattice a, b, c
4.997 Å
4.997 Å
3.978 Å
Angles α, β, γ
90.00°
90.00°
120.00°
Volume
86.02 ų
Density
8.59 g/cm³
Attribution
CaCu5-type SmCo5 (6 atoms) for DFT magnet benchmark
ARR license
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Stats
Size
967 B
Type
.cif file
Downloads
0
0
Properties
Curie temperature
731 K
Prophet-Spin Monte Carlo
Estimate the Curie temperature from Prophet-Spin exchange
913 K
Prophet-Spin mean field
Estimate the Curie temperature from Prophet-Spin exchange
Saturation magnetization
1.06 T
CHGNet
Estimate magnetic moments and Ms from a CIF
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Connections
4
Referenced by
SmCo5 structure analysis
Included in datasets
mCGCNN vs CHGNet magnetic moment benchmark
Linked from
The Sm-Co nearest-neighbor distance of 2.885 Å is worth pausing on. That's the Sm-Co inter...
Ouro DFT on known magnets: Ms and MAE vs experiment
Actions
50 compatible
Estimate the Curie temperature from Prophet-Spin exchange
, Success
Exchange couplings (Jij)
, Success
Exchange couplings (Jij)
, Success