Nd4CoCu
Alexandria ALEXAlex-ID: agm003745075 · Space group: I4_1md (#109)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_22_spg109
Nd3Co NdCu
2022-04-18 09:44:37.432068
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003745075).
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 agm003745075
data_agm003745075
_cell_length_a 7.86856
_cell_length_b 7.86856
_cell_length_c 7.86856
_cell_angle_alpha 107.13668
_cell_angle_beta 107.13668
_cell_angle_gamma 114.24855
_cell_volume 373.05564
_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 0.26593 0.96021 0.69428 1.00000
Nd2 Nd 0.73367 0.43235 0.69869 1.00000
Nd3 Nd 0.71021 0.51593 0.19428 1.00000
Nd4 Nd 0.18235 0.98367 0.19869 1.00000
Nd5 Nd 0.32164 0.51593 0.80572 1.00000
Nd6 Nd 0.78498 0.98367 0.80131 1.00000
Nd7 Nd 0.73367 0.03498 0.30131 1.00000
Nd8 Nd 0.26593 0.57164 0.30572 1.00000
Co1 Co 0.74919 0.74919 0.00000 1.00000
Co2 Co 0.49919 0.99919 0.50000 1.00000
Cu1 Cu 0.25160 0.25160 0.00000 1.00000
Cu2 Cu 0.00160 0.50160 0.50000 1.00000
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