Nd6YCu8
Alexandria ALEXAlex-ID: agm072740980 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_75_spg148
YCu2 NdCu
2024-10-05 23:06:56.088208
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072740980).
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 agm072740980
data_agm072740980
_cell_length_a 7.49142
_cell_length_b 7.49142
_cell_length_c 7.49142
_cell_angle_alpha 107.37482
_cell_angle_beta 107.37482
_cell_angle_gamma 107.37482
_cell_volume 346.49540
_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 0.71707 0.36214 0.84499 1.00000
Nd2 Nd 0.36214 0.84499 0.71707 1.00000
Nd3 Nd 0.84499 0.71707 0.36214 1.00000
Nd4 Nd 0.28293 0.63786 0.15501 1.00000
Nd5 Nd 0.63786 0.15501 0.28293 1.00000
Nd6 Nd 0.15501 0.28293 0.63786 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.64739 0.64739 0.64739 1.00000
Cu2 Cu 0.35261 0.35261 0.35261 1.00000
Cu3 Cu 0.58097 0.68851 0.97108 1.00000
Cu4 Cu 0.68851 0.97108 0.58097 1.00000
Cu5 Cu 0.97108 0.58097 0.68851 1.00000
Cu6 Cu 0.41903 0.31149 0.02892 1.00000
Cu7 Cu 0.31149 0.02892 0.41903 1.00000
Cu8 Cu 0.02892 0.41903 0.31149 1.00000
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