Nd16AlZn3Ni4
Alexandria ALEXAlex-ID: agm020902757 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D16_19_spg160
Nd7ZnNi2 Nd3Al4Ni3 Nd2Zn Nd
2024-12-10 12:16:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020902757).
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 agm020902757
data_agm020902757
_cell_length_a 9.72561
_cell_length_b 9.72561
_cell_length_c 9.72744
_cell_angle_alpha 60.05783
_cell_angle_beta 119.94218
_cell_angle_gamma 119.93558
_cell_volume 651.48980
_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 0.43632 0.93727 0.56392 1.00000
Nd2 Nd 0.06273 0.56368 0.56392 1.00000
Nd3 Nd 0.43632 0.56368 0.93754 1.00000
Nd4 Nd 0.06317 0.56228 0.93704 1.00000
Nd5 Nd 0.43772 0.93683 0.93704 1.00000
Nd6 Nd 0.06319 0.93681 0.56254 1.00000
Nd7 Nd 0.80632 0.80554 0.19392 1.00000
Nd8 Nd 0.19446 0.19368 0.19392 1.00000
Nd9 Nd 0.80630 0.19370 0.80571 1.00000
Nd10 Nd 0.19665 0.19622 0.80350 1.00000
Nd11 Nd 0.80378 0.80335 0.80350 1.00000
Nd12 Nd 0.19671 0.80329 0.19645 1.00000
Nd13 Nd 0.64887 0.35113 0.35133 1.00000
Nd14 Nd 0.64941 0.35059 0.94911 1.00000
Nd15 Nd 0.05100 0.35054 0.35076 1.00000
Nd16 Nd 0.64946 0.94900 0.35076 1.00000
Al1 Al 0.42594 0.57406 0.57425 1.00000
Zn1 Zn 0.42318 0.57682 0.27074 1.00000
Zn2 Zn 0.72948 0.57683 0.57705 1.00000
Zn3 Zn 0.42317 0.27052 0.57705 1.00000
Ni1 Ni 0.85764 0.14236 0.14255 1.00000
Ni2 Ni 0.85696 0.14304 0.57165 1.00000
Ni3 Ni 0.42852 0.14305 0.14322 1.00000
Ni4 Ni 0.85695 0.57148 0.14322 1.00000
