Nd3Fe29
Alexandria ALEXAlex-ID: agm003240751 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B29_0_spg12
Fe Nd
2021-12-13 09:30:05.944313
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003240751).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003240751
data_agm003240751
_cell_length_a 6.47444
_cell_length_b 6.47444
_cell_length_c 10.47937
_cell_angle_alpha 85.47597
_cell_angle_beta 85.47597
_cell_angle_gamma 82.82530
_cell_volume 433.42212
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nd1 Nd 0.81301 0.81301 0.59952 1.00000
Nd2 Nd 0.18699 0.18699 0.40048 1.00000
Nd3 Nd 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.50000 0.00000 0.00000 1.00000
Fe2 Fe 0.00000 0.50000 0.00000 1.00000
Fe3 Fe 0.81066 0.31558 0.59633 1.00000
Fe4 Fe 0.50000 0.50000 0.50000 1.00000
Fe5 Fe 0.29151 0.29151 0.85976 1.00000
Fe6 Fe 0.70849 0.70849 0.14024 1.00000
Fe7 Fe 0.52047 0.52047 0.74733 1.00000
Fe8 Fe 0.47953 0.47953 0.25267 1.00000
Fe9 Fe 0.31653 0.86654 0.19612 1.00000
Fe10 Fe 0.13346 0.68347 0.80388 1.00000
Fe11 Fe 0.68347 0.13346 0.80388 1.00000
Fe12 Fe 0.86654 0.31653 0.19612 1.00000
Fe13 Fe 0.53986 0.83098 0.37560 1.00000
Fe14 Fe 0.16902 0.46014 0.62440 1.00000
Fe15 Fe 0.46014 0.16902 0.62440 1.00000
Fe16 Fe 0.83098 0.53986 0.37560 1.00000
Fe17 Fe 0.64016 0.35984 0.00000 1.00000
Fe18 Fe 0.35984 0.64016 0.00000 1.00000
Fe19 Fe 0.28059 0.28059 0.10604 1.00000
Fe20 Fe 0.71941 0.71941 0.89396 1.00000
Fe21 Fe 0.09757 0.59172 0.19770 1.00000
Fe22 Fe 0.40828 0.90243 0.80230 1.00000
Fe23 Fe 0.90243 0.40828 0.80230 1.00000
Fe24 Fe 0.59172 0.09757 0.19770 1.00000
Fe25 Fe 0.90446 0.90446 0.29153 1.00000
Fe26 Fe 0.09554 0.09554 0.70847 1.00000
Fe27 Fe 0.31558 0.81066 0.59633 1.00000
Fe28 Fe 0.18934 0.68442 0.40367 1.00000
Fe29 Fe 0.68442 0.18934 0.40367 1.00000
