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NdTiFe11N (oxide benchmark) · Imm2 crystal structure · Files on Ouro
@mmoderwell
#permanent-magnets
Jul 20
public
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NdTiFe11N (oxide benchmark)
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Overview
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Structure
Formula
Nd
Ti
Fe
11
N
Space group
Imm2 (44)
Crystal system
Orthorhombic
Atoms per cell
14
Lattice a, b, c
4.904 Å, 6.536 Å, 6.536 Å
Angles α, β, γ
97.73°, 112.03°, 67.97°
Volume
180.01 ų
Density
7.57 g/cm³
Attribution
NdTiFe11N from mCGCNN sample set for ligand-magnet moment benchmark
ARR license
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views
0
Stats
Size
1.37 KB
Type
.cif file
Downloads
0
0
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Derived assets
NdTiFe11N (oxide benchmark) - relaxed
.cif
NdTiFe11N phase diagram
.html
Included in datasets
mCGCNN vs CHGNet magnetic moment benchmark
Actions
Predict a crystal property with ALIGNN
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Details
Estimate magnetic moments and Ms from a CIF
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Magnetic moment & Ms for ligand-bridged magnets (oxides, nitrides, M–X–M)
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Details
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