Cu2Ni5
Alexandria ALEXAlex-ID: agm009609529 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5_8_spg2
Ni Cu
2025-06-26 03:54:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009609529).
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
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# CIF generated by HEAS from Alexandria entry agm009609529
data_agm009609529
_cell_length_a 5.62988
_cell_length_b 5.62988
_cell_length_c 6.14243
_cell_angle_alpha 68.29843
_cell_angle_beta 111.70157
_cell_angle_gamma 154.38216
_cell_volume 77.88931
_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
Cu1 Cu 0.57162 0.42838 0.71254 1.00000
Cu2 Cu 0.42838 0.57162 0.28746 1.00000
Ni1 Ni 0.85401 0.14599 0.57489 1.00000
Ni2 Ni 0.14599 0.85401 0.42511 1.00000
Ni3 Ni 0.00000 0.00000 0.00000 1.00000
Ni4 Ni 0.71247 0.28753 0.14130 1.00000
Ni5 Ni 0.28753 0.71247 0.85870 1.00000
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