Nd4Cu2Au
Alexandria ALEXAlex-ID: agm006009155 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1633_spg166
Nd2Au NdCu
2023-09-14 09:42:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006009155).
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 agm006009155
data_agm006009155
_cell_length_a 5.10393
_cell_length_b 5.10393
_cell_length_c 8.81934
_cell_angle_alpha 73.18035
_cell_angle_beta 73.18035
_cell_angle_gamma 59.99999
_cell_volume 187.52969
_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
Au1 Au 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.87249 0.87249 0.38252 1.00000
Nd2 Nd 0.12751 0.12751 0.61748 1.00000
Nd3 Nd 0.62160 0.62160 0.13520 1.00000
Nd4 Nd 0.37840 0.37840 0.86480 1.00000
Cu1 Cu 0.75227 0.75227 0.74319 1.00000
Cu2 Cu 0.24773 0.24773 0.25681 1.00000
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