Zr2Cu3Ni
Alexandria ALEXAlex-ID: agm005893751 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1415_spg15
Zr3Cu8 Zr14Cu51 ZrNi
2023-08-23 11:56:22.470677
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005893751).
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 agm005893751
data_agm005893751
_cell_length_a 4.82921
_cell_length_b 4.82921
_cell_length_c 9.00621
_cell_angle_alpha 109.20810
_cell_angle_beta 109.20811
_cell_angle_gamma 86.52315
_cell_volume 187.03453
_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 0.15971 0.31260 0.11910 1.00000
Zr2 Zr 0.68740 0.84029 0.38090 1.00000
Zr3 Zr 0.84029 0.68740 0.88090 1.00000
Zr4 Zr 0.31260 0.15971 0.61910 1.00000
Cu1 Cu 0.22901 0.55412 0.44870 1.00000
Cu2 Cu 0.44588 0.77099 0.05130 1.00000
Cu3 Cu 0.77099 0.44588 0.55130 1.00000
Cu4 Cu 0.55412 0.22901 0.94870 1.00000
Cu5 Cu 0.74985 0.25015 0.25000 1.00000
Cu6 Cu 0.25015 0.74985 0.75000 1.00000
Ni1 Ni 0.12505 0.87495 0.25000 1.00000
Ni2 Ni 0.87495 0.12505 0.75000 1.00000
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