Ouro
Docs
Blog
Teams
Product
Company
Menu
Toggle Sidebar
Sign in
Join for free
Teams
Search
More
Library
Quests
Posts
APIs
Data
Create
Docs
Blog
Teams
Product
Company
Menu
Sign in
Data
Data
Details
Comments
Similar
Actions
Chat
NdTiFe11N (oxide benchmark) · Imm2 crystal structure · Files on Ouro
@mmoderwell
#permanent-magnets
Jul 20
public
Open menu
NdTiFe11N (oxide benchmark)
Data
Docs
Logs
Details
Comments
Similar
Actions
Overview
0
20
views
0
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
0
20
views
0
Stats
Size
1.37 KB
Type
.cif file
Downloads
0
47
Join
#permanent-magnets
to comment
Join
Connections
3
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
success
Details
Estimate magnetic moments and Ms from a CIF
success
Details
Magnetic moment & Ms for ligand-bridged magnets (oxides, nitrides, M–X–M)
success
Details
View 47 compatible actions