Zr2Cu5Ni4
Alexandria ALEXAlex-ID: agm003365682 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_154_spg69
Zr14Cu51 ZrNi3 Cu
2022-02-05 11:00:18.916565
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003365682).
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 agm003365682
data_agm003365682
_cell_length_a 4.80649
_cell_length_b 4.68791
_cell_length_c 8.41411
_cell_angle_alpha 81.58032
_cell_angle_beta 73.40404
_cell_angle_gamma 59.15967
_cell_volume 156.00088
_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
Zr1 Zr 0.86997 0.00000 0.26005 1.00000
Zr2 Zr 0.13003 1.00000 0.73995 1.00000
Cu1 Cu 0.50000 0.00000 0.00000 1.00000
Cu2 Cu 0.00000 0.50000 0.00000 1.00000
Cu3 Cu 0.50000 0.50000 0.00000 1.00000
Cu4 Cu 0.25000 0.50000 0.50000 1.00000
Cu5 Cu 0.75000 0.50000 0.50000 1.00000
Ni1 Ni 0.46509 0.32528 0.74454 1.00000
Ni2 Ni 0.53491 0.67472 0.25546 1.00000
Ni3 Ni 0.20963 0.32528 0.25546 1.00000
Ni4 Ni 0.79037 0.67472 0.74454 1.00000
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