NdFeB14
Alexandria ALEXAlex-ID: agm005755708 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
FeB2 NdB6 B
2023-07-18 13:56:09.000658
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755708).
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 agm005755708
data_agm005755708
_cell_length_a 5.84327
_cell_length_b 7.39446
_cell_length_c 7.39446
_cell_angle_alpha 68.68258
_cell_angle_beta 66.72708
_cell_angle_gamma 66.72707
_cell_volume 261.34926
_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 0.25000 0.38053 0.11947 1.00000
Nd2 Nd 0.75000 0.61947 0.88053 1.00000
Fe1 Fe 0.50000 0.00000 0.50000 1.00000
Fe2 Fe 0.00000 0.00000 0.50000 1.00000
B1 B 0.66603 0.36775 0.30020 1.00000
B2 B 0.33397 0.63225 0.69980 1.00000
B3 B 0.16603 0.80020 0.86775 1.00000
B4 B 0.83397 0.19980 0.13225 1.00000
B5 B 0.13231 0.23329 0.50208 1.00000
B6 B 0.86769 0.76671 0.49792 1.00000
B7 B 0.63231 0.00208 0.73329 1.00000
B8 B 0.36769 0.99792 0.26671 1.00000
B9 B 0.08710 0.07965 0.74614 1.00000
B10 B 0.91290 0.92035 0.25386 1.00000
B11 B 0.58710 0.24614 0.57965 1.00000
B12 B 0.41290 0.75386 0.42035 1.00000
B13 B 0.71960 0.60186 0.28127 1.00000
B14 B 0.60274 0.39814 0.71873 1.00000
B15 B 0.21960 0.78127 0.10186 1.00000
B16 B 0.10274 0.21873 0.89814 1.00000
B17 B 0.28040 0.39814 0.71873 1.00000
B18 B 0.39726 0.60186 0.28127 1.00000
B19 B 0.78040 0.21873 0.89814 1.00000
B20 B 0.89726 0.78127 0.10186 1.00000
B21 B 0.32717 0.96937 0.87345 1.00000
B22 B 0.16999 0.03063 0.12655 1.00000
B23 B 0.82717 0.37345 0.46937 1.00000
B24 B 0.66999 0.62655 0.53063 1.00000
B25 B 0.67283 0.03063 0.12655 1.00000
B26 B 0.83001 0.96937 0.87345 1.00000
B27 B 0.17283 0.62655 0.53063 1.00000
B28 B 0.33001 0.37345 0.46937 1.00000
