Cu9Ni
Alexandria ALEXAlex-ID: agm014456906 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB9_114_spg2
Ni Cu
2024-11-10 11:54:14.194438
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014456906).
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 agm014456906
data_agm014456906
_cell_length_a 4.42782
_cell_length_b 5.10135
_cell_length_c 5.72047
_cell_angle_alpha 77.15001
_cell_angle_beta 74.89931
_cell_angle_gamma 73.02826
_cell_volume 117.81015
_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 0.69960 0.80048 0.60294 1.00000
Cu2 Cu 0.89702 0.60159 0.19998 1.00000
Cu3 Cu 0.10298 0.39841 0.80002 1.00000
Cu4 Cu 0.50000 0.50000 0.00000 1.00000
Cu5 Cu 0.30040 0.19952 0.39706 1.00000
Cu6 Cu 0.30083 0.70090 0.39801 1.00000
Cu7 Cu 0.90005 0.09939 0.19872 1.00000
Cu8 Cu 0.69917 0.29910 0.60199 1.00000
Cu9 Cu 0.09995 0.90061 0.80128 1.00000
Ni1 Ni 0.50000 0.00000 0.00000 1.00000
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