Ce5Nd3Fe
Alexandria ALEXAlex-ID: agm072435649 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1195_spg1
Ce Nd CeFe
2024-09-24 08:34:29.088977
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072435649).
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
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# CIF generated by HEAS from Alexandria entry agm072435649
data_agm072435649
_cell_length_a 6.97919
_cell_length_b 6.97919
_cell_length_c 6.01868
_cell_angle_alpha 77.54444
_cell_angle_beta 77.54444
_cell_angle_gamma 66.32808
_cell_volume 259.43277
_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
Ce1 Ce 0.00957 0.00957 0.54207 1.00000
Ce2 Ce 0.29586 0.71837 0.99797 1.00000
Ce3 Ce 0.71837 0.29586 0.99797 1.00000
Ce4 Ce 0.22121 0.22121 0.98418 1.00000
Ce5 Ce 0.74082 0.74082 0.97313 1.00000
Nd1 Nd 0.53073 0.00537 0.45131 1.00000
Nd2 Nd 0.50401 0.50401 0.52299 1.00000
Nd3 Nd 0.00537 0.53073 0.45131 1.00000
Fe1 Fe 0.96154 0.96154 0.07856 1.00000
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