Nd8ZnCu2
Alexandria ALEXAlex-ID: agm006017129 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_17_spg12
Nd2Zn Nd NdCu
2023-10-12 14:54:21.173706
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006017129).
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 agm006017129
data_agm006017129
_cell_length_a 5.57723
_cell_length_b 8.20287
_cell_length_c 8.20287
_cell_angle_alpha 115.04213
_cell_angle_beta 99.49503
_cell_angle_gamma 99.49504
_cell_volume 323.55820
_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
Zn1 Zn 0.00286 0.00308 0.00308 1.00000
Nd1 Nd 0.57996 0.32709 0.08349 1.00000
Nd2 Nd 0.57996 0.08349 0.32709 1.00000
Nd3 Nd 0.18714 0.39107 0.39107 1.00000
Nd4 Nd 0.99974 0.23943 0.76676 1.00000
Nd5 Nd 0.99974 0.76676 0.23943 1.00000
Nd6 Nd 0.81244 0.61501 0.61501 1.00000
Nd7 Nd 0.41905 0.92255 0.67911 1.00000
Nd8 Nd 0.41905 0.67911 0.92255 1.00000
Cu1 Cu 0.49986 0.69460 0.31174 1.00000
Cu2 Cu 0.49986 0.31174 0.69460 1.00000
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