Zn8NiPd2
Alexandria ALEXAlex-ID: agm003530370 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_278_spg12
Zn53Ni16 Zn3Pd ZnNi
2022-03-16 03:58:50.468886
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003530370).
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 agm003530370
data_agm003530370
_cell_length_a 3.78992
_cell_length_b 6.25896
_cell_length_c 7.94177
_cell_angle_alpha 120.64707
_cell_angle_beta 103.80432
_cell_angle_gamma 90.00000
_cell_volume 155.71505
_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 0.32358 0.55195 0.64716 1.00000
Zn2 Zn 0.59503 0.74706 0.19007 1.00000
Zn3 Zn 0.86408 0.90735 0.72816 1.00000
Zn4 Zn 0.04109 0.34773 0.08217 1.00000
Zn5 Zn 0.13592 0.09265 0.27184 1.00000
Zn6 Zn 0.40497 0.25294 0.80993 1.00000
Zn7 Zn 0.67642 0.44805 0.35284 1.00000
Zn8 Zn 0.95892 0.65227 0.91783 1.00000
Ni1 Ni 0.50000 0.00000 0.00000 1.00000
Pd1 Pd 0.77583 0.20243 0.55165 1.00000
Pd2 Pd 0.22417 0.79757 0.44835 1.00000
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