Nd3(NiAu2)2
Alexandria ALEXAlex-ID: agm005673934 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_664_spg12
NdAu2 Nd3Au4 NdNi2Au
2023-06-27 17:04:00.039949
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673934).
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 agm005673934
data_agm005673934
_cell_length_a 4.22440
_cell_length_b 5.97492
_cell_length_c 8.84201
_cell_angle_alpha 74.94849
_cell_angle_beta 76.17943
_cell_angle_gamma 69.29780
_cell_volume 198.91362
_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 0.31664 0.73021 0.63650 1.00000
Nd2 Nd 0.00000 0.00000 0.00000 1.00000
Nd3 Nd 0.68336 0.26979 0.36350 1.00000
Ni1 Ni 0.39612 0.94284 0.26493 1.00000
Ni2 Ni 0.60388 0.05716 0.73507 1.00000
Au1 Au 0.26814 0.37385 0.08987 1.00000
Au2 Au 0.73186 0.62615 0.91013 1.00000
Au3 Au 0.02778 0.30576 0.63868 1.00000
Au4 Au 0.97222 0.69424 0.36132 1.00000
Get direct link