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@mmoderwell
in
#permanent-magnets
Jul 13
public
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Co hcp (benchmark)
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Co hcp (benchmark) · P6_3/mmc crystal structure · Files on Ouro
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Overview
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12
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Structure
Formula
Co
Space group
P6_3/mmc (194)
Crystal system
Hexagonal
Atoms per cell
2
Lattice a, b, c
2.507 Å
2.507 Å
4.069 Å
Angles α, β, γ
90.00°
90.00°
120.00°
Volume
22.15 ų
Density
8.84 g/cm³
Attribution
hcp Co (2 atoms) for DFT magnet benchmark
ARR license
12
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Stats
Size
747 B
Type
.cif file
Downloads
0
0
Properties
Saturation magnetization
1.76 T
CHGNet
Estimate magnetic moments and Ms from a CIF
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